2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one

C14H25NO — CID 62617026

IUPAC2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one
SMILESCC1CCCN(CC2CCCCC2=O)C1C
InChIInChI=1S/C14H25NO/c1-11-6-5-9-15(12(11)2)10-13-7-3-4-8-14(13)16/h11-13H,3-10H2,1-2H3
InChIKeyLTOVWGJZQBSEQP-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds2

About 2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one

2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one (PubChem CID 62617026) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one
PubChem CID62617026
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one
SMILESCC1CCCN(CC2CCCCC2=O)C1C
InChIInChI=1S/C14H25NO/c1-11-6-5-9-15(12(11)2)10-13-7-3-4-8-14(13)16/h11-13H,3-10H2,1-2H3
InChIKeyLTOVWGJZQBSEQP-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2,3-dimethylpiperidin-1-yl)ethyl]cyclopentan-1-one
CID 79568968
2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 45097785
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptan-1-one
CID 102728227
6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79852279
2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 62615106
2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one
CID 104691901
(2S)-2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-one
CID 124678182
2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one
CID 63624486
2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-one
CID 62613023
2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 62616856
2-(azetidin-1-ylmethyl)cycloheptan-1-one
CID 130548358
2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one
CID 62615095

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one (CID 62617026) is 2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one is CC1CCCN(CC2CCCCC2=O)C1C.
What is the InChIKey of 2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one?
The InChIKey is LTOVWGJZQBSEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11-6-5-9-15(12(11)2)10-13-7-3-4-8-14(13)16/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one?
2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one has a molecular weight of 223.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 62617026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).