
 CHEMBL395838

 51 54  0  0  0  0  0  0  0  0999 V2000
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    3.4313   -0.2095   -3.2706 C   0  0  0  0  0
    4.1371    0.1360   -4.4188 C   0  0  0  0  0
    3.8194    1.2811   -5.1324 C   0  0  0  0  0
    2.7702    2.0850   -4.6959 C   0  0  0  0  0
    2.0597    1.7499   -3.5357 C   0  0  0  0  0
    5.1446   -0.6431   -4.8333 F   0  0  0  0  0
    2.6498   -0.4122   -0.6433 O   0  0  0  0  0
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   -0.0474    0.5980    3.8548 C   0  0  0  0  0
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    0.3666    1.9742   -1.2662 H   0  0  0  0  0
    1.9322    2.1403   -0.4645 H   0  0  0  0  0
    0.1162    1.8646    1.1093 H   0  0  0  0  0
    1.3038    0.5634    1.2663 H   0  0  0  0  0
    0.5828   -1.7878    0.1426 H   0  0  0  0  0
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    0.8162   -0.0614    3.7923 H   0  0  0  0  0
    0.7421    1.6530    5.5594 H   0  0  0  0  0
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   -3.0028    1.3119    2.3132 H   0  0  0  0  0
   -1.6564   -2.6196    3.4865 H   0  0  0  0  0
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  1  6  1  0  0  0
  1  2  1  0  0  0
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  1 29  1  0  0  0
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  5 35  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL395838

>  <PubChem CID>
44430008

>  <Formula>
C24H24FNO

>  <Molecular Weight>
361.460000

>  <IUPAC Name>
1-benzhydryl-4-(3-fluorophenyl)piperidin-4-ol

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1(C2=CC(=CC=C2)F)O)C(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC(=CC=C2)F)O)C(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H24FNO/c25-22-13-7-12-21(18-22)24(27)14-16-26(17-15-24)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,23,27H,14-17H2

>  <InChI Key>
AXBTYZPRVDTMRF-UHFFFAOYSA-N

