
 CHEMBL545081

 63 65  0  0  0  0  0  0  0  0999 V2000
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    1.3936    0.4645   -3.7477 Cl  0  0  0  0  0
    0.4053    1.4861   -0.7784 H   0  0  0  0  0
    0.9518    2.1218    0.8098 H   0  0  0  0  0
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   -1.0946   -1.4695    1.4660 H   0  0  0  0  0
   -1.5768   -2.0419   -0.1641 H   0  0  0  0  0
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    0.3711   -1.0128   -1.2155 H   0  0  0  0  0
    2.1835    0.0342    0.0532 H   0  0  0  0  0
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    2.0538    0.5668    2.4306 H   0  0  0  0  0
    1.5714   -1.8092    4.1294 H   0  0  0  0  0
    3.1467   -0.9161    3.9444 H   0  0  0  0  0
    5.0202   -2.2229    4.5308 H   0  0  0  0  0
    6.1718   -4.3998    4.6991 H   0  0  0  0  0
    2.7656   -6.3575    2.9602 H   0  0  0  0  0
    1.5973   -4.1867    2.7840 H   0  0  0  0  0
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    2.1483    0.5174   -2.5991 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
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  1 34  1  0  0  0
  2  3  1  0  0  0
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  5 40  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL545081

>  <PubChem CID>
45262150

>  <Formula>
C27H31ClFNO2

>  <Molecular Weight>
455.998000

>  <IUPAC Name>
4-[(4-fluorophenyl)methoxymethyl]-1-[(4-phenylmethoxyphenyl)methyl]piperidine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1COCC2=CC=C(C=C2)F)CC3=CC=C(C=C3)OCC4=CC=CC=C4.Cl

>  <Isomeric SMILES>
C1CN(CCC1COCC2=CC=C(C=C2)F)CC3=CC=C(C=C3)OCC4=CC=CC=C4.Cl

>  <InChI Std. ID>
InChI=1S/C27H30FNO2.ClH/c28-26-10-6-24(7-11-26)19-30-20-25-14-16-29(17-15-25)18-22-8-12-27(13-9-22)31-21-23-4-2-1-3-5-23;/h1-13,25H,14-21H2;1H

>  <InChI Key>
CWOKHVLUIZBHTI-UHFFFAOYSA-N

