[2-(4-phenylpiperidin-1-yl)cyclohexyl] butanoate

C21H31NO2 — CID 15925903

IUPAC[2-(4-phenylpiperidin-1-yl)cyclohexyl] butanoate
SMILESCCCC(=O)OC1CCCCC1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H31NO2/c1-2-8-21(23)24-20-12-7-6-11-19(20)22-15-13-18(14-16-22)17-9-4-3-5-10-17/h3-5,9-10,18-20H,2,6-8,11-16H2,1H3
InChIKeyUVOLQEBBDSSQSE-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.52
Rot. Bonds5

About [2-(4-phenylpiperidin-1-yl)cyclohexyl] butanoate

[2-(4-phenylpiperidin-1-yl)cyclohexyl] butanoate (PubChem CID 15925903) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is [2-(4-phenylpiperidin-1-yl)cyclohexyl] butanoate.

Molecular Properties

Compound Name[2-(4-phenylpiperidin-1-yl)cyclohexyl] butanoate
PubChem CID15925903
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name[2-(4-phenylpiperidin-1-yl)cyclohexyl] butanoate
SMILESCCCC(=O)OC1CCCCC1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H31NO2/c1-2-8-21(23)24-20-12-7-6-11-19(20)22-15-13-18(14-16-22)17-9-4-3-5-10-17/h3-5,9-10,18-20H,2,6-8,11-16H2,1H3
InChIKeyUVOLQEBBDSSQSE-UHFFFAOYSA-N
XLogP4.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidolate
CID 4839
Piperidolate Hydrochloride
CID 8520
Fenbutrazate
CID 20395
D-104 (FDA NDC: 58264-0110)
CID 3014059
4-((2,2-Diphenylacetyl)oxy)-1,1-dimethylpiperidinium
CID 1734
Pentapiperide
CID 110942
[(1R)-1-cyclohexyl-3-phenylpropyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 445645
1-(2-Cyclohexyl-2-oxo-acetyl)-piperidine-2-carboxylic acid 3-phenyl-propyl ester
CID 15380474
Pituxate
CID 65810
1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid 3,3-diphenyl-propyl ester
CID 44295523
1-Methylpiperidin-3-yl diphenylacetate
CID 407339
3-(4-Methylphenyl)propyl piperidin-1-ylacetate
CID 4169248

Frequently Asked Questions

What is the IUPAC name of [2-(4-phenylpiperidin-1-yl)cyclohexyl] butanoate?
The IUPAC name of [2-(4-phenylpiperidin-1-yl)cyclohexyl] butanoate (CID 15925903) is [2-(4-phenylpiperidin-1-yl)cyclohexyl] butanoate.
What is the SMILES notation for [2-(4-phenylpiperidin-1-yl)cyclohexyl] butanoate?
The canonical SMILES for [2-(4-phenylpiperidin-1-yl)cyclohexyl] butanoate is CCCC(=O)OC1CCCCC1N1CCC(c2ccccc2)CC1.
What is the InChIKey of [2-(4-phenylpiperidin-1-yl)cyclohexyl] butanoate?
The InChIKey is UVOLQEBBDSSQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-2-8-21(23)24-20-12-7-6-11-19(20)22-15-13-18(14-16-22)17-9-4-3-5-10-17/h3-5,9-10,18-20H,2,6-8,11-16H2,1H3.
What are the key properties of [2-(4-phenylpiperidin-1-yl)cyclohexyl] butanoate?
[2-(4-phenylpiperidin-1-yl)cyclohexyl] butanoate has a molecular weight of 329.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-phenylpiperidin-1-yl)cyclohexyl] butanoate is sourced from PubChem (CID 15925903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).