4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one

C16H29NO2 — CID 80707393

IUPAC4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
SMILESCC1(O)CCN(C(=O)CCCC2CCCCC2)CC1
InChIInChI=1S/C16H29NO2/c1-16(19)10-12-17(13-11-16)15(18)9-5-8-14-6-3-2-4-7-14/h14,19H,2-13H2,1H3
InChIKeyPSHRNDLLFWCTPS-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.11
Rot. Bonds4

About 4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one

4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one (PubChem CID 80707393) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
PubChem CID80707393
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
SMILESCC1(O)CCN(C(=O)CCCC2CCCCC2)CC1
InChIInChI=1S/C16H29NO2/c1-16(19)10-12-17(13-11-16)15(18)9-5-8-14-6-3-2-4-7-14/h14,19H,2-13H2,1H3
InChIKeyPSHRNDLLFWCTPS-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706726
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-cyclopentylbutan-1-one;hydrochloride
CID 120805428
1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
CID 43354138
1-(3-amino-4,4-dimethylpiperidin-1-yl)-4-cyclobutylbutan-1-one
CID 115276919
1-(4-cyclohexylbutanoyl)piperidine-4-carboxamide
CID 78784857
13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one
CID 91705040
4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one
CID 115276559
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 80707454
1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one
CID 80707384
4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 80707058
1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one
CID 107406032
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119743484

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of 4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one (CID 80707393) is 4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one is CC1(O)CCN(C(=O)CCCC2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one?
The InChIKey is PSHRNDLLFWCTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(19)10-12-17(13-11-16)15(18)9-5-8-14-6-3-2-4-7-14/h14,19H,2-13H2,1H3.
What are the key properties of 4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one?
4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one has a molecular weight of 267.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 80707393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).