2-[(2-chlorophenyl)methyl]-6-(1-methylpiperidin-3-yl)pyridine

C18H21ClN2 — CID 110249269

IUPAC2-[(2-chlorophenyl)methyl]-6-(1-methylpiperidin-3-yl)pyridine
SMILESCN1CCCC(c2cccc(Cc3ccccc3Cl)n2)C1
InChIInChI=1S/C18H21ClN2/c1-21-11-5-7-15(13-21)18-10-4-8-16(20-18)12-14-6-2-3-9-17(14)19/h2-4,6,8-10,15H,5,7,11-13H2,1H3
InChIKeyOSSOYFJZFLBUOO-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.14
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-6-(1-methylpiperidin-3-yl)pyridine

2-[(2-chlorophenyl)methyl]-6-(1-methylpiperidin-3-yl)pyridine (PubChem CID 110249269) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-6-(1-methylpiperidin-3-yl)pyridine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-6-(1-methylpiperidin-3-yl)pyridine
PubChem CID110249269
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name2-[(2-chlorophenyl)methyl]-6-(1-methylpiperidin-3-yl)pyridine
SMILESCN1CCCC(c2cccc(Cc3ccccc3Cl)n2)C1
InChIInChI=1S/C18H21ClN2/c1-21-11-5-7-15(13-21)18-10-4-8-16(20-18)12-14-6-2-3-9-17(14)19/h2-4,6,8-10,15H,5,7,11-13H2,1H3
InChIKeyOSSOYFJZFLBUOO-UHFFFAOYSA-N
XLogP4.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chlorophenyl)methyl]-6-(1-methylpiperidin-3-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 2-[(2-chlorophenyl)methyl]-6-(1-methylpiperidin-3-yl)pyridine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-6-(1-methylpiperidin-3-yl)pyridine (CID 110249269) is 2-[(2-chlorophenyl)methyl]-6-(1-methylpiperidin-3-yl)pyridine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-6-(1-methylpiperidin-3-yl)pyridine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-6-(1-methylpiperidin-3-yl)pyridine is CN1CCCC(c2cccc(Cc3ccccc3Cl)n2)C1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-6-(1-methylpiperidin-3-yl)pyridine?
The InChIKey is OSSOYFJZFLBUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-21-11-5-7-15(13-21)18-10-4-8-16(20-18)12-14-6-2-3-9-17(14)19/h2-4,6,8-10,15H,5,7,11-13H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-6-(1-methylpiperidin-3-yl)pyridine?
2-[(2-chlorophenyl)methyl]-6-(1-methylpiperidin-3-yl)pyridine has a molecular weight of 300.83 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-6-(1-methylpiperidin-3-yl)pyridine is sourced from PubChem (CID 110249269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).