
 CHEMBL431266

 59 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL431266

>  <PubChem CID>
10359237

>  <Formula>
C22H35NO

>  <Molecular Weight>
329.528000

>  <IUPAC Name>
3-[(3R,4R)-1-(3-cyclohexylpropyl)-3,4-dimethylpiperidin-4-yl]phenol

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1CN(CCC1(C)C2=CC(=CC=C2)O)CCCC3CCCCC3

>  <Isomeric SMILES>
C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)CCCC3CCCCC3

>  <InChI Std. ID>
InChI=1S/C22H35NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h6,11-12,16,18-19,24H,3-5,7-10,13-15,17H2,1-2H3/t18-,22+/m0/s1

>  <InChI Key>
DRIFNPBKGHUWAN-PGRDOPGGSA-N

