3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine

C14H21ClN2 — CID 61256984

IUPAC3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine
SMILESCc1cc(C)c(CCl)c(N2CCC(C)CC2)n1
InChIInChI=1S/C14H21ClN2/c1-10-4-6-17(7-5-10)14-13(9-15)11(2)8-12(3)16-14/h8,10H,4-7,9H2,1-3H3
InChIKeySKEPKPWWPYSXBY-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.67
Rot. Bonds2

About 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine

3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine (PubChem CID 61256984) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine
PubChem CID61256984
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine
SMILESCc1cc(C)c(CCl)c(N2CCC(C)CC2)n1
InChIInChI=1S/C14H21ClN2/c1-10-4-6-17(7-5-10)14-13(9-15)11(2)8-12(3)16-14/h8,10H,4-7,9H2,1-3H3
InChIKeySKEPKPWWPYSXBY-UHFFFAOYSA-N
XLogP3.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine?
The IUPAC name of 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine (CID 61256984) is 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine is Cc1cc(C)c(CCl)c(N2CCC(C)CC2)n1.
What is the InChIKey of 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine?
The InChIKey is SKEPKPWWPYSXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10-4-6-17(7-5-10)14-13(9-15)11(2)8-12(3)16-14/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine?
3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine has a molecular weight of 252.79 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 61256984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).