2-(piperidin-4-yl)pyridine hydrochloride

• ChemBase ID: 292854
• Molecular Formular: C10H15ClN2
• Molecular Mass: 198.6925
• Monoisotopic Mass: 198.09237617
• SMILES: Cl.C1CC(CCN1)c1ncccc1
• Canonical SMILES: N1CCC(CC1)c1ccccn1.Cl
• InChI: InChI=1S/C10H14N2.ClH/c1-2-6-12-10(3-1)9-4-7-11-8-5-9;/h1-3,6,9,11H,4-5,7-8H2;1H
• InChIKey: BFWSEJQRPNTSPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yl)pyridine hydrochloride
• IUPAC Traditional name: 2-(piperidin-4-yl)pyridine hydrochloride
• Synonyms: 2-(Piperidin-4-yl)pyridine hydrochloride

Database IDs

• CAS Number: 216688-64-1
• PubChem SID: 180678385
• PubChem CID: 22992852

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2316983
• LogD (pH = 7.4): -1.5003276
• Log P: 0.99052143
• Molar Refractivity: 48.9242 cm^3
• Polarizability: 19.37373 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%