
 CHEMBL136622

 56 58  0  0  0  0  0  0  0  0999 V2000
    2.1932    2.2802   -0.7706 C   0  0  0  0  0
    0.8858    3.0440   -0.5417 C   0  0  0  0  0
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    0.4885   -3.6058   -1.2711 C   0  0  0  0  0
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    1.9138   -0.5222    0.0587 O   0  0  0  0  0
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   -6.3209    8.4993   -1.2907 C   0  0  0  0  0
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    2.5988    1.9505    0.1925 H   0  0  0  0  0
    1.1201    3.9332    0.0577 H   0  0  0  0  0
    0.2068    2.4311    0.0644 H   0  0  0  0  0
   -0.6795    1.6587   -2.4347 H   0  0  0  0  0
   -0.2457    2.7781   -3.7264 H   0  0  0  0  0
    1.2627    0.8673   -3.7679 H   0  0  0  0  0
    2.1175    2.3574   -3.4632 H   0  0  0  0  0
    2.9989    0.6836   -1.9459 H   0  0  0  0  0
    0.2269    0.3576   -0.6743 H   0  0  0  0  0
    1.8188   -1.6622   -2.3471 H   0  0  0  0  0
    0.3476   -0.8767   -2.9189 H   0  0  0  0  0
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    0.0617   -5.6208   -0.6153 H   0  0  0  0  0
    1.4933   -3.8561   -1.6057 H   0  0  0  0  0
    1.3811   -1.2147    0.4898 H   0  0  0  0  0
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   -3.8033    4.4766   -1.8759 H   0  0  0  0  0
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   -4.4688    8.5016   -2.3803 H   0  0  0  0  0
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   -4.8792    5.4933    0.6843 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7 16  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
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 26 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL136622

>  <PubChem CID>
10089567

>  <Formula>
C23H30FNO

>  <Molecular Weight>
355.497000

>  <IUPAC Name>
2-(4-fluorophenyl)-1-[1-(4-phenylbutyl)piperidin-4-yl]ethanol

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1C(CC2=CC=C(C=C2)F)O)CCCCC3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCC1C(CC2=CC=C(C=C2)F)O)CCCCC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C23H30FNO/c24-22-11-9-20(10-12-22)18-23(26)21-13-16-25(17-14-21)15-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,9-12,21,23,26H,4-5,8,13-18H2

>  <InChI Key>
FIFLUTNSIVHHPL-UHFFFAOYSA-N

