2-cyclohexyl-2-methylpiperidin-3-one;hydrochloride

C12H22ClNO — CID 115038629

IUPAC2-cyclohexyl-2-methylpiperidin-3-one;hydrochloride
SMILESCC1(C2CCCCC2)NCCCC1=O.Cl
InChIInChI=1S/C12H21NO.ClH/c1-12(10-6-3-2-4-7-10)11(14)8-5-9-13-12;/h10,13H,2-9H2,1H3;1H
InChIKeyZGSOAFYEJARURM-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.70
Rot. Bonds1

About 2-cyclohexyl-2-methylpiperidin-3-one;hydrochloride

2-cyclohexyl-2-methylpiperidin-3-one;hydrochloride (PubChem CID 115038629) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 2-cyclohexyl-2-methylpiperidin-3-one;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-2-methylpiperidin-3-one;hydrochloride
PubChem CID115038629
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name2-cyclohexyl-2-methylpiperidin-3-one;hydrochloride
SMILESCC1(C2CCCCC2)NCCCC1=O.Cl
InChIInChI=1S/C12H21NO.ClH/c1-12(10-6-3-2-4-7-10)11(14)8-5-9-13-12;/h10,13H,2-9H2,1H3;1H
InChIKeyZGSOAFYEJARURM-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-2-methylpiperidin-3-one;hydrochloride
CID 115024376
(5S)-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 6927018
4-cyclohexyl-4-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridine
CID 165478766
5-cyclohexyl-5-methylpyrrolidin-3-one;hydrochloride
CID 115030387
3a-methyl-1,2,3,5,6,7,8,8a-octahydroazulen-4-one
CID 557031
7-cyclohexyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine
CID 165470573
5-cycloheptyl-5-methylpyrrolidin-3-one
CID 115020388
2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride
CID 115046240
7-cyclopentyl-7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridine
CID 165470575
2-(4-chlorophenyl)-2-methylpiperidin-3-one;hydrochloride
CID 115054395
3-hydroxy-2,2-dimethylcyclooctan-1-one
CID 86182604
2-cyclohexyl-3-fluoro-2-methylpiperidine
CID 115021815

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methylpiperidin-3-one;hydrochloride?
The IUPAC name of 2-cyclohexyl-2-methylpiperidin-3-one;hydrochloride (CID 115038629) is 2-cyclohexyl-2-methylpiperidin-3-one;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-2-methylpiperidin-3-one;hydrochloride?
The canonical SMILES for 2-cyclohexyl-2-methylpiperidin-3-one;hydrochloride is CC1(C2CCCCC2)NCCCC1=O.Cl.
What is the InChIKey of 2-cyclohexyl-2-methylpiperidin-3-one;hydrochloride?
The InChIKey is ZGSOAFYEJARURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO.ClH/c1-12(10-6-3-2-4-7-10)11(14)8-5-9-13-12;/h10,13H,2-9H2,1H3;1H.
What are the key properties of 2-cyclohexyl-2-methylpiperidin-3-one;hydrochloride?
2-cyclohexyl-2-methylpiperidin-3-one;hydrochloride has a molecular weight of 231.77 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methylpiperidin-3-one;hydrochloride is sourced from PubChem (CID 115038629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).