hexahydrodifenidol   Click here for help

GtoPdb Ligand ID: 322

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 23.47
Molecular weight 315.26
XLogP 4.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1
Isomeric SMILES OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1
InChI InChI=1S/C21H33NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-10,13-18H2
InChI Key ILHSFCNKNNNPRN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-cyclohexyl-1-phenyl-4-piperidin-1-ylbutan-1-ol
Database Links Click here for help
BindingDB Ligand 81960
CAS Registry No. 113010-69-8 (source: Scifinder)
GtoPdb PubChem SID 135650347
PubChem CID 124226
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