
 CHEMBL75065

 47 49  0  0  0  0  0  0  0  0999 V2000
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    3.4885   -6.1220    0.7381 F   0  0  0  0  0
    3.3822    0.1346    0.4143 O   0  0  0  0  0
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   -7.4254    1.6478   -0.4527 H   0  0  0  0  0
   -5.3818    1.4988   -1.8328 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
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  9 35  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL75065

>  <PubChem CID>
11733478

>  <Formula>
C20H23FINO

>  <Molecular Weight>
439.313000

>  <IUPAC Name>
(4-fluorophenyl)-[1-[2-(3-iodophenyl)ethyl]piperidin-4-yl]methanol

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1C(C2=CC=C(C=C2)F)O)CCC3=CC(=CC=C3)I

>  <Isomeric SMILES>
C1CN(CCC1C(C2=CC=C(C=C2)F)O)CCC3=CC(=CC=C3)I

>  <InChI Std. ID>
InChI=1S/C20H23FINO/c21-18-6-4-16(5-7-18)20(24)17-9-12-23(13-10-17)11-8-15-2-1-3-19(22)14-15/h1-7,14,17,20,24H,8-13H2

>  <InChI Key>
ABHOAXOMMBWABW-UHFFFAOYSA-N

