3-(4-methylcyclohexyl)piperidin-4-one

C12H21NO — CID 114451713

IUPAC3-(4-methylcyclohexyl)piperidin-4-one
SMILESCC1CCC(C2CNCCC2=O)CC1
InChIInChI=1S/C12H21NO/c1-9-2-4-10(5-3-9)11-8-13-7-6-12(11)14/h9-11,13H,2-8H2,1H3
InChIKeyGSZXWHBSLKRSKI-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.99
Rot. Bonds1

About 3-(4-methylcyclohexyl)piperidin-4-one

3-(4-methylcyclohexyl)piperidin-4-one (PubChem CID 114451713) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(4-methylcyclohexyl)piperidin-4-one.

Molecular Properties

Compound Name3-(4-methylcyclohexyl)piperidin-4-one
PubChem CID114451713
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(4-methylcyclohexyl)piperidin-4-one
SMILESCC1CCC(C2CNCCC2=O)CC1
InChIInChI=1S/C12H21NO/c1-9-2-4-10(5-3-9)11-8-13-7-6-12(11)14/h9-11,13H,2-8H2,1H3
InChIKeyGSZXWHBSLKRSKI-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropylpiperidin-4-one
CID 130812685
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CID 91003548
(6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride
CID 174161312
(3aS,6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride
CID 154724409
(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-one
CID 55301354
1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione
CID 13211069
4-(4-methylcyclohexyl)thiolan-3-one
CID 83195857
6-(4-methylcyclohexyl)-1,4-diazocane
CID 138509045
bicyclo[3.2.0]heptan-2-one
CID 543759
2,3,4,4a,6,7,8,8a-octahydro-1H-isoquinolin-5-one;hydrochloride
CID 146155403
3-methyl-5-(4-oxocyclohexyl)piperidin-4-one
CID 91529942
formaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one
CID 142844571

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylcyclohexyl)piperidin-4-one?
The IUPAC name of 3-(4-methylcyclohexyl)piperidin-4-one (CID 114451713) is 3-(4-methylcyclohexyl)piperidin-4-one.
What is the SMILES notation for 3-(4-methylcyclohexyl)piperidin-4-one?
The canonical SMILES for 3-(4-methylcyclohexyl)piperidin-4-one is CC1CCC(C2CNCCC2=O)CC1.
What is the InChIKey of 3-(4-methylcyclohexyl)piperidin-4-one?
The InChIKey is GSZXWHBSLKRSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-2-4-10(5-3-9)11-8-13-7-6-12(11)14/h9-11,13H,2-8H2,1H3.
What are the key properties of 3-(4-methylcyclohexyl)piperidin-4-one?
3-(4-methylcyclohexyl)piperidin-4-one has a molecular weight of 195.31 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylcyclohexyl)piperidin-4-one is sourced from PubChem (CID 114451713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).