4919
  -OEChem-06231013072D

 50 52  0     1  0  0  0  0  0999 V2000
    2.3100    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4440   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3978   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3978   -0.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3488   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3488   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8469   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2319   -0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8334   -1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7866   -1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3881   -0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8926    0.2121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2023    0.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8334   -2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2319   -3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3881   -3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7866   -2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9115   -3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7085   -3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2274   -1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9177   -1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8608   -1.9850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -2.2414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500    0.5094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8608    0.2530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4778   -1.9725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9654   -1.3012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9654   -0.4308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4778    0.2404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 45  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 16  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  1  0  0  0  0
 17 46  1  0  0  0  0
 18 20  2  0  0  0  0
 18 47  1  0  0  0  0
 19 21  2  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 49  1  0  0  0  0
 21 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4919

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
301

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABAAAAHgAACAAADUTBmAQwAIMAAgCAAiBCAAACAAAgAAAIiAAICIgIJiKAkRCEcAAmwAGImAeQwOAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-cyclohexyl-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
1-cyclohexyl-1-phenyl-3-(1-pyrrolidinyl)-1-propanol

> <PUBCHEM_IUPAC_NAME>
1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-cyclohexyl-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-cyclohexyl-1-phenyl-3-pyrrolidino-propan-1-ol

> <PUBCHEM_NIST_INCHI>
InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2

> <PUBCHEM_NIST_INCHIKEY>
WYDUSKDSKCASEF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
4.1

> <PUBCHEM_EXACT_MASS>
287.224915

> <PUBCHEM_MOLECULAR_FORMULA>
C19H29NO

> <PUBCHEM_MOLECULAR_WEIGHT>
287.43966

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O

> <PUBCHEM_CACTVS_TPSA>
23.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
287.224915

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
12  17  8
12  18  8
17  19  8
18  20  8
19  21  8
20  21  8
4  7  3

$$$$