
 CHEMBL233721

 50 52  0  0  0  0  0  0  0  0999 V2000
    1.0217   -0.8218   -0.5406 C   0  0  0  0  0
    2.0262    0.0021    0.2824 C   0  0  0  0  0
    3.3617   -0.7455    0.3300 C   0  0  0  0  0
    2.1237    1.4826   -0.2045 C   0  0  0  0  0
    2.5526    1.6186   -1.6740 C   0  0  0  0  0
    2.6755    3.0884   -2.0880 C   0  0  0  0  0
    3.6016    3.8831   -1.2644 N   0  0  0  0  0
    3.1976    3.7722    0.1513 C   0  0  0  0  0
    3.0642    2.3319    0.6709 C   0  0  0  0  0
    5.0517    3.6121   -1.4842 C   0  0  0  0  0
    5.4448    3.4714   -2.9621 C   0  0  0  0  0
    6.0573    2.2906   -3.4192 C   0  0  0  0  0
    6.4128    2.1456   -4.7607 C   0  0  0  0  0
    6.1656    3.1765   -5.6653 C   0  0  0  0  0
    5.5661    4.3562   -5.2277 C   0  0  0  0  0
    5.2116    4.5043   -3.8870 C   0  0  0  0  0
    5.9624    4.6656   -0.8248 C   0  0  0  0  0
    7.2397    4.2997   -0.3656 C   0  0  0  0  0
    8.0981    5.2511    0.1922 C   0  0  0  0  0
    7.6955    6.5809    0.2984 C   0  0  0  0  0
    6.4378    6.9642   -0.1587 C   0  0  0  0  0
    5.5817    6.0165   -0.7227 C   0  0  0  0  0
    0.8015    2.0429   -0.0940 O   0  0  0  0  0
    0.0406   -0.3379   -0.5809 H   0  0  0  0  0
    0.8775   -1.8105   -0.0908 H   0  0  0  0  0
    1.3707   -0.9769   -1.5666 H   0  0  0  0  0
    1.6287    0.0212    1.3072 H   0  0  0  0  0
    3.8395   -0.7919   -0.6526 H   0  0  0  0  0
    3.2104   -1.7762    0.6707 H   0  0  0  0  0
    4.0579   -0.2810    1.0333 H   0  0  0  0  0
    1.8061    1.1586   -2.3320 H   0  0  0  0  0
    3.5045    1.1077   -1.8522 H   0  0  0  0  0
    2.9211    3.1443   -3.1529 H   0  0  0  0  0
    1.6852    3.5599   -2.0267 H   0  0  0  0  0
    3.8812    4.3215    0.8080 H   0  0  0  0  0
    2.2329    4.2833    0.2687 H   0  0  0  0  0
    4.0615    1.8838    0.7227 H   0  0  0  0  0
    2.6779    2.3745    1.6971 H   0  0  0  0  0
    5.2813    2.6532   -1.0006 H   0  0  0  0  0
    6.2590    1.4735   -2.7304 H   0  0  0  0  0
    6.8833    1.2270   -5.1025 H   0  0  0  0  0
    6.4395    3.0621   -6.7099 H   0  0  0  0  0
    5.3714    5.1614   -5.9311 H   0  0  0  0  0
    4.7351    5.4267   -3.5608 H   0  0  0  0  0
    7.5810    3.2712   -0.4565 H   0  0  0  0  0
    9.0863    4.9557    0.5351 H   0  0  0  0  0
    8.3653    7.3204    0.7286 H   0  0  0  0  0
    6.1226    8.0014   -0.0848 H   0  0  0  0  0
    4.6065    6.3352   -1.0859 H   0  0  0  0  0
    0.5160    1.9671    0.8326 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 17  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 14  2  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 15 16  2  0  0  0
 15 43  1  0  0  0
 16 44  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 19 20  2  0  0  0
 19 46  1  0  0  0
 20 21  1  0  0  0
 20 47  1  0  0  0
 21 22  2  0  0  0
 21 48  1  0  0  0
 22 49  1  0  0  0
 23 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL233721

>  <PubChem CID>
44430025

>  <Formula>
C21H27NO

>  <Molecular Weight>
309.453000

>  <IUPAC Name>
1-benzhydryl-4-propan-2-ylpiperidin-4-ol

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)C1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)O

>  <Isomeric SMILES>
CC(C)C1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)O

>  <InChI Std. ID>
InChI=1S/C21H27NO/c1-17(2)21(23)13-15-22(16-14-21)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,23H,13-16H2,1-2H3

>  <InChI Key>
BOIJUJOJZXIYHU-UHFFFAOYSA-N

