(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone

C14H19ClN2O — CID 107098081

IUPAC(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cccc(Cl)c2C)C1
InChIInChI=1S/C14H19ClN2O/c1-10-12(6-3-7-13(10)15)14(18)17-8-4-5-11(9-17)16-2/h3,6-7,11,16H,4-5,8-9H2,1-2H3
InChIKeyCDZWJYDSQVCTJP-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.47
Rot. Bonds2

About (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone

(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 107098081) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID107098081
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cccc(Cl)c2C)C1
InChIInChI=1S/C14H19ClN2O/c1-10-12(6-3-7-13(10)15)14(18)17-8-4-5-11(9-17)16-2/h3,6-7,11,16H,4-5,8-9H2,1-2H3
InChIKeyCDZWJYDSQVCTJP-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-chloro-2-methylphenyl)-[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

(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 81265224
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950
(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119488113
[3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82827096
(2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489697
(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491888
[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493814
(3-chloro-2-methylphenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 107100020
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone (CID 107098081) is (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2cccc(Cl)c2C)C1.
What is the InChIKey of (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is CDZWJYDSQVCTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-12(6-3-7-13(10)15)14(18)17-8-4-5-11(9-17)16-2/h3,6-7,11,16H,4-5,8-9H2,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 266.77 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 107098081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).