(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone

C15H22N2O — CID 62535810

IUPAC(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(C)cc2C)C1
InChIInChI=1S/C15H22N2O/c1-11-6-7-14(12(2)9-11)15(18)17-8-4-5-13(10-17)16-3/h6-7,9,13,16H,4-5,8,10H2,1-3H3
InChIKeyLNKMWHRYDVDJCO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.13
Rot. Bonds2

About (2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone

(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 62535810) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID62535810
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(C)cc2C)C1
InChIInChI=1S/C15H22N2O/c1-11-6-7-14(12(2)9-11)15(18)17-8-4-5-13(10-17)16-3/h6-7,9,13,16H,4-5,8,10H2,1-3H3
InChIKeyLNKMWHRYDVDJCO-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,4-dimethylphenyl)-[3-(methylamino)piperidin-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

(2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575490
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
(5-fluoro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492604
(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62373006
N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide
CID 110812326
ethyl (3R)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338523
3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488419
(2,4-dimethylphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540525
1-(2,5-dimethylphenyl)-4-[3-(methylamino)piperidin-1-yl]butane-1,4-dione
CID 119490854
[3-(methylamino)piperidin-1-yl]-(2-methyl-5-nitrophenyl)methanone
CID 62534652
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone (CID 62535810) is (2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2ccc(C)cc2C)C1.
What is the InChIKey of (2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is LNKMWHRYDVDJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-6-7-14(12(2)9-11)15(18)17-8-4-5-13(10-17)16-3/h6-7,9,13,16H,4-5,8,10H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 246.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 62535810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).