3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one

C21H31NO2 — CID 11702664

IUPAC3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C(O)(CC(=O)N2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C21H31NO2/c1-17-10-12-19(13-11-17)21(24,18-8-4-2-5-9-18)16-20(23)22-14-6-3-7-15-22/h10-13,18,24H,2-9,14-16H2,1H3
InChIKeyGBXDGZQXNDAKBN-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.17
Rot. Bonds4

About 3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one

3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one (PubChem CID 11702664) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is 3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
PubChem CID11702664
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C(O)(CC(=O)N2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C21H31NO2/c1-17-10-12-19(13-11-17)21(24,18-8-4-2-5-9-18)16-20(23)22-14-6-3-7-15-22/h10-13,18,24H,2-9,14-16H2,1H3
InChIKeyGBXDGZQXNDAKBN-UHFFFAOYSA-N
XLogP4.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Benzoyl-4-hydroxy-1-methyl-4-phenylpiperidine
CID 20784
(1-Ethyl-4-hydroxy-4-phenyl-piperidin-3-yl)-phenyl-methanone
CID 370028
Loperamide hydrochloride specified impurity D
CID 3705191
[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone
CID 2809533
3-(4-Methylbenzoyl)-4-(4-methylphenyl)-1-methylpiperidine-4-ol
CID 285836
(1-Butyl-4-hydroxy-4-phenylpiperidin-3-yl)(phenyl)methanone
CID 2827007
1-Cyclohexyl-1-hydroxy-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-one
CID 9840500
((3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin-3-yl)((3S,4R,5R)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885863
((3S,4R)-4-(2,4-difluorophenyl)-1-ethylpyrrolidin-3-yl)((3S,4R,5R)-4-(3-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885907
4-Hydroxy-1-methyl-4-(4-methylphenyl)-3-piperidyl 4-methylphenyl ketone
CID 9905279
((3R,4S)-4-Hydroxy-1-methyl-4-phenyl-piperidin-3-yl)-phenyl-methanone
CID 708981
((3R,4S)-1-Ethyl-4-hydroxy-4-phenyl-piperidin-3-yl)-phenyl-methanone
CID 7430452

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one (CID 11702664) is 3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one is Cc1ccc(C(O)(CC(=O)N2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is GBXDGZQXNDAKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-17-10-12-19(13-11-17)21(24,18-8-4-2-5-9-18)16-20(23)22-14-6-3-7-15-22/h10-13,18,24H,2-9,14-16H2,1H3.
What are the key properties of 3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one?
3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 329.48 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 11702664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).