2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one

C15H21NO — CID 79398439

IUPAC2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one
SMILESCc1cccc(CN2CCC(=O)C(C)C2C)c1
InChIInChI=1S/C15H21NO/c1-11-5-4-6-14(9-11)10-16-8-7-15(17)12(2)13(16)3/h4-6,9,12-13H,7-8,10H2,1-3H3
InChIKeyDHIZMXHNKYUQIK-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.79
Rot. Bonds2

About 2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one

2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one (PubChem CID 79398439) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one
PubChem CID79398439
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one
SMILESCc1cccc(CN2CCC(=O)C(C)C2C)c1
InChIInChI=1S/C15H21NO/c1-11-5-4-6-14(9-11)10-16-8-7-15(17)12(2)13(16)3/h4-6,9,12-13H,7-8,10H2,1-3H3
InChIKeyDHIZMXHNKYUQIK-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-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

1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79398659
1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 106899928
1-[(3-chloro-4-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79406732
(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one
CID 6553776
1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79406431
3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 143494865
[3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 102788811
(3aS,7aS)-2-[(3-methylphenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98346033
(3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one
CID 93322462
1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
CID 22989002
1-[[3-(methoxymethyl)phenyl]methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383252
1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520187

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one?
The IUPAC name of 2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one (CID 79398439) is 2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one.
What is the SMILES notation for 2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one?
The canonical SMILES for 2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one is Cc1cccc(CN2CCC(=O)C(C)C2C)c1.
What is the InChIKey of 2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one?
The InChIKey is DHIZMXHNKYUQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-5-4-6-14(9-11)10-16-8-7-15(17)12(2)13(16)3/h4-6,9,12-13H,7-8,10H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one?
2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one has a molecular weight of 231.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one is sourced from PubChem (CID 79398439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).