(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone

C15H21NO — CID 78783803

IUPAC(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCCC(C)C2)c1C
InChIInChI=1S/C15H21NO/c1-11-6-5-9-16(10-11)15(17)14-8-4-7-12(2)13(14)3/h4,7-8,11H,5-6,9-10H2,1-3H3
InChIKeyHVHDWDSPMHHXOH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.18
Rot. Bonds1

About (2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone

(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 78783803) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID78783803
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCCC(C)C2)c1C
InChIInChI=1S/C15H21NO/c1-11-6-5-9-16(10-11)15(17)14-8-4-7-12(2)13(14)3/h4,7-8,11H,5-6,9-10H2,1-3H3
InChIKeyHVHDWDSPMHHXOH-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone 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-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
(2,3-dimethylphenyl)-[3-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 122132317
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799
(3-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone
CID 55247851
(3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43502725
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950
N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 41368481

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone (CID 78783803) is (2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone is Cc1cccc(C(=O)N2CCCC(C)C2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is HVHDWDSPMHHXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-6-5-9-16(10-11)15(17)14-8-4-7-12(2)13(14)3/h4,7-8,11H,5-6,9-10H2,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone?
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 231.34 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 78783803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).