(3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol

C20H31NO — CID 59130980

IUPAC(3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1(O)C1CCCCC1
InChIInChI=1S/C20H31NO/c1-16-13-21(15-18-9-5-3-6-10-18)14-17(2)20(16,22)19-11-7-4-8-12-19/h3,5-6,9-10,16-17,19,22H,4,7-8,11-15H2,1-2H3/t16-,17+,20?
InChIKeyHZILZGNAXUIFRX-XEWABKELSA-N
MW301.47 g/mol
LogP4.09
Rot. Bonds3

About (3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol

(3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol (PubChem CID 59130980) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is (3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol
PubChem CID59130980
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name(3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1(O)C1CCCCC1
InChIInChI=1S/C20H31NO/c1-16-13-21(15-18-9-5-3-6-10-18)14-17(2)20(16,22)19-11-7-4-8-12-19/h3,5-6,9-10,16-17,19,22H,4,7-8,11-15H2,1-2H3/t16-,17+,20?
InChIKeyHZILZGNAXUIFRX-XEWABKELSA-N
XLogP4.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol
CID 72524846
(3S,4R)-1-benzyl-3-tert-butyl-4-methylpyrrolidin-3-ol
CID 101210615
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 70655281
1-benzyl-3-cyclopentylazepan-3-ol
CID 83826093
(1S,5S)-9-amino-3-benzyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 98110083
(4aS,8aR)-2-benzyl-4a-chloro-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 40562487
2-benzyl-4a-chloro-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 3396845
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
3-benzyl-8,8-difluoro-3-azabicyclo[3.2.1]octane
CID 176801204
ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate
CID 177342640

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol?
The IUPAC name of (3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol (CID 59130980) is (3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol.
What is the SMILES notation for (3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol?
The canonical SMILES for (3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol is C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1(O)C1CCCCC1.
What is the InChIKey of (3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol?
The InChIKey is HZILZGNAXUIFRX-XEWABKELSA-N. The full InChI is InChI=1S/C20H31NO/c1-16-13-21(15-18-9-5-3-6-10-18)14-17(2)20(16,22)19-11-7-4-8-12-19/h3,5-6,9-10,16-17,19,22H,4,7-8,11-15H2,1-2H3/t16-,17+,20?.
What are the key properties of (3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol?
(3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol has a molecular weight of 301.47 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol is sourced from PubChem (CID 59130980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).