4-cyclohexyl-1-methylpiperidin-3-one

C12H21NO — CID 83484700

IUPAC4-cyclohexyl-1-methylpiperidin-3-one
SMILESCN1CCC(C2CCCCC2)C(=O)C1
InChIInChI=1S/C12H21NO/c1-13-8-7-11(12(14)9-13)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3
InChIKeyYTWGWDBISNLIGK-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.09
Rot. Bonds1

About 4-cyclohexyl-1-methylpiperidin-3-one

4-cyclohexyl-1-methylpiperidin-3-one (PubChem CID 83484700) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-cyclohexyl-1-methylpiperidin-3-one.

Molecular Properties

Compound Name4-cyclohexyl-1-methylpiperidin-3-one
PubChem CID83484700
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-cyclohexyl-1-methylpiperidin-3-one
SMILESCN1CCC(C2CCCCC2)C(=O)C1
InChIInChI=1S/C12H21NO/c1-13-8-7-11(12(14)9-13)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3
InChIKeyYTWGWDBISNLIGK-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[5-Fluoro-2-(propan-2-yl)cyclohexyl](1-methylpiperidin-4-yl)methanone
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1-(1-Methyl-3-piperidinyl)acetone
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1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]-2,2-dimethylpropan-1-one
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(8aR)-2-methyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one
CID 134844242
(1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one
CID 134858409
3-Methyl-2-(piperidin-1-ylmethyl)-6-propan-2-ylcyclohexan-1-one
CID 55838
1-Cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 104750884
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(4R,4aR,8aR)-2,4-dimethyl-1,3,4,4a,6,7,8,8a-octahydroisoquinolin-5-one
CID 10866956

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-methylpiperidin-3-one?
The IUPAC name of 4-cyclohexyl-1-methylpiperidin-3-one (CID 83484700) is 4-cyclohexyl-1-methylpiperidin-3-one.
What is the SMILES notation for 4-cyclohexyl-1-methylpiperidin-3-one?
The canonical SMILES for 4-cyclohexyl-1-methylpiperidin-3-one is CN1CCC(C2CCCCC2)C(=O)C1.
What is the InChIKey of 4-cyclohexyl-1-methylpiperidin-3-one?
The InChIKey is YTWGWDBISNLIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-13-8-7-11(12(14)9-13)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3.
What are the key properties of 4-cyclohexyl-1-methylpiperidin-3-one?
4-cyclohexyl-1-methylpiperidin-3-one has a molecular weight of 195.31 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-methylpiperidin-3-one is sourced from PubChem (CID 83484700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).