
 CHEMBL555865

 47 49  0  0  0  0  0  0  0  0999 V2000
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    3.4036   -1.6489    4.4257 C   0  0  0  0  0
    3.0043   -1.1921    3.1660 C   0  0  0  0  0
    4.2817   -3.3712    5.7744 F   0  0  0  0  0
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   -8.7368    0.5359    2.1988 Cl  0  0  0  0  0
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   -8.0774    0.7489   -0.5698 H   0  0  0  0  0
   -5.9698    0.3246   -1.7770 H   0  0  0  0  0
  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL555865

>  <PubChem CID>
10427805

>  <Formula>
C20H23ClFNO

>  <Molecular Weight>
347.858000

>  <IUPAC Name>
1-[2-(4-chlorophenyl)ethyl]-4-[(4-fluorophenoxy)methyl]piperidine

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1COC2=CC=C(C=C2)F)CCC3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
C1CN(CCC1COC2=CC=C(C=C2)F)CCC3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C20H23ClFNO/c21-18-3-1-16(2-4-18)9-12-23-13-10-17(11-14-23)15-24-20-7-5-19(22)6-8-20/h1-8,17H,9-15H2

>  <InChI Key>
DHCOINUZJXKBOU-UHFFFAOYSA-N

