
 CHEMBL545081

 61 64  0  0  0  0  0  0  0  0999 V2000
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    3.3172   -0.6493    3.8786 H   0  0  0  0  0
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    6.6404   -4.0310    4.0617 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL545081

>  <PubChem CID>
10025089

>  <Formula>
C27H30FNO2

>  <Molecular Weight>
419.540000

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

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C27H30FNO2/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

>  <InChI Key>
DLRMDAMHGPXZDZ-UHFFFAOYSA-N

