(6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone

C12H15ClN2O — CID 168678066

IUPAC(6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone
SMILESCc1nc(Cl)ccc1C(=O)N1CCCCC1
InChIInChI=1S/C12H15ClN2O/c1-9-10(5-6-11(13)14-9)12(16)15-7-3-2-4-8-15/h5-6H,2-4,7-8H2,1H3
InChIKeyWHOYCYFDPDKSMH-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.67
Rot. Bonds1

About (6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone

(6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone (PubChem CID 168678066) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is (6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone
PubChem CID168678066
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name(6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone
SMILESCc1nc(Cl)ccc1C(=O)N1CCCCC1
InChIInChI=1S/C12H15ClN2O/c1-9-10(5-6-11(13)14-9)12(16)15-7-3-2-4-8-15/h5-6H,2-4,7-8H2,1H3
InChIKeyWHOYCYFDPDKSMH-UHFFFAOYSA-N
XLogP2.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone 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

azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
(6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 134507879
azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone
CID 154789120
(6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 24885199
(6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone
CID 167809516
(2,6-dichloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 113228669
(2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 71933483
(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61060522
(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 62829888
(4-bromopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80661867
(2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106994520
(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone?
The IUPAC name of (6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone (CID 168678066) is (6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone?
The canonical SMILES for (6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone is Cc1nc(Cl)ccc1C(=O)N1CCCCC1.
What is the InChIKey of (6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone?
The InChIKey is WHOYCYFDPDKSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-9-10(5-6-11(13)14-9)12(16)15-7-3-2-4-8-15/h5-6H,2-4,7-8H2,1H3.
What are the key properties of (6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone?
(6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone has a molecular weight of 238.72 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 168678066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).