
 CHEMBL320991

 53 55  0  0  0  0  0  0  0  0999 V2000
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    4.3189    1.1348    0.6151 N   0  0  0  0  0
    4.3064    2.3460   -0.2129 C   0  0  0  0  0
    3.4805    3.4882    0.3812 C   0  0  0  0  0
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    0.6873    5.6185    3.0158 C   0  0  0  0  0
    1.5440    4.7328    2.3519 C   0  0  0  0  0
    0.1541    7.6519    4.7058 Cl  0  0  0  0  0
    5.1815    4.4654    1.7672 O   0  0  0  0  0
    1.4882   -4.4201   -2.2550 H   0  0  0  0  0
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    3.7708   -1.8818   -0.7955 H   0  0  0  0  0
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    1.2842   -1.6903    0.2607 H   0  0  0  0  0
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    4.5453    2.7710    3.6235 H   0  0  0  0  0
    3.0375    2.1601    2.9556 H   0  0  0  0  0
    5.8698    1.7291    1.8927 H   0  0  0  0  0
    4.8151    0.5317    2.5829 H   0  0  0  0  0
    4.5040    5.8196    3.6309 H   0  0  0  0  0
    2.9948    7.3636    4.7973 H   0  0  0  0  0
   -0.3845    5.5579    2.8478 H   0  0  0  0  0
    1.0898    3.9926    1.6996 H   0  0  0  0  0
    5.8244    3.8491    1.3823 H   0  0  0  0  0
  1  8  1  0  0  0
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  4  5  1  0  0  0
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  4 31  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
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  6  7  1  0  0  0
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  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL320991

>  <PubChem CID>
44339504

>  <Formula>
C20H30ClNO

>  <Molecular Weight>
335.916000

>  <IUPAC Name>
4-(4-chlorophenyl)-1-(cyclooctylmethyl)piperidin-4-ol

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCCC(CCC1)CN2CCC(CC2)(C3=CC=C(C=C3)Cl)O

>  <Isomeric SMILES>
C1CCCC(CCC1)CN2CCC(CC2)(C3=CC=C(C=C3)Cl)O

>  <InChI Std. ID>
InChI=1S/C20H30ClNO/c21-19-10-8-18(9-11-19)20(23)12-14-22(15-13-20)16-17-6-4-2-1-3-5-7-17/h8-11,17,23H,1-7,12-16H2

>  <InChI Key>
AMDBWPUYNXJYJF-UHFFFAOYSA-N

