
 CHEMBL1258270

 60 62  0  0  0  0  0  0  0  0999 V2000
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    5.8847    2.3592    1.6298 H   0  0  0  0  0
    4.4821    3.3390    1.1994 H   0  0  0  0  0
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1258270

>  <PubChem CID>
52943802

>  <Formula>
C25H33NO

>  <Molecular Weight>
363.545000

>  <IUPAC Name>
1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC(=C(C=C1)C)C2CCN(CC2)CCCC(=O)C3=C(C=CC(=C3)C)C

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)C)C2CCN(CC2)CCCC(=O)C3=C(C=CC(=C3)C)C

>  <InChI Std. ID>
InChI=1S/C25H33NO/c1-18-7-9-20(3)23(16-18)22-11-14-26(15-12-22)13-5-6-25(27)24-17-19(2)8-10-21(24)4/h7-10,16-17,22H,5-6,11-15H2,1-4H3

>  <InChI Key>
QPOPFNWPFQDIQV-UHFFFAOYSA-N

