3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one

C20H29NO2 — CID 110185891

IUPAC3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H29NO2/c22-19(12-11-17-7-3-1-4-8-17)21-15-13-20(23,14-16-21)18-9-5-2-6-10-18/h2,5-6,9-10,17,23H,1,3-4,7-8,11-16H2
InChIKeyUCOKNHXBMJWRLI-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.86
Rot. Bonds4

About 3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one

3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one (PubChem CID 110185891) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
PubChem CID110185891
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H29NO2/c22-19(12-11-17-7-3-1-4-8-17)21-15-13-20(23,14-16-21)18-9-5-2-6-10-18/h2,5-6,9-10,17,23H,1,3-4,7-8,11-16H2
InChIKeyUCOKNHXBMJWRLI-UHFFFAOYSA-N
XLogP3.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45338210
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 97197401
1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one
CID 1328826
1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 23600335
3-cyclohexyl-1-[4-(3-phenoxypropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547506
3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 90510415
3-cyclohexyl-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544297
1-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-4-phenylpiperidine-4-carbonitrile
CID 97190884
3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one
CID 89031878
1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one
CID 166989164
3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one
CID 92756535
1-(4-benzyl-1,4-diazepan-1-yl)-3-cyclopentylpropan-1-one
CID 23768554

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one (CID 110185891) is 3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one is O=C(CCC1CCCCC1)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one?
The InChIKey is UCOKNHXBMJWRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c22-19(12-11-17-7-3-1-4-8-17)21-15-13-20(23,14-16-21)18-9-5-2-6-10-18/h2,5-6,9-10,17,23H,1,3-4,7-8,11-16H2.
What are the key properties of 3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one?
3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one has a molecular weight of 315.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 110185891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).