2-(piperidin-2-yl)pyridine dihydrochloride

• ChemBase ID: 55118
• Molecular Formular: C10H16Cl2N2
• Molecular Mass: 235.15344
• Monoisotopic Mass: 234.06905388
• SMILES: c1cnc(cc1)C1NCCCC1.Cl.Cl
• Canonical SMILES: C1CCC(NC1)c1ccccn1.Cl.Cl
• InChI: InChI=1S/C10H14N2.2ClH/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1,3,5,7,10,12H,2,4,6,8H2;2*1H
• InChIKey: KZCMOLSHRLXFRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-2-yl)pyridine dihydrochloride
• IUPAC Traditional name: 2-(piperidin-2-yl)pyridine dihydrochloride
• Synonyms: 2-Piperidin-2-ylpyridine dihydrochloride

Database IDs

• CAS Number: 15578-73-1
• MDL Number: MFCD08461227
• PubChem SID: 162059881
• PubChem CID: 17389506

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3542787
• LogD (pH = 7.4): 0.31540102
• Log P: 1.4577166
• Molar Refractivity: 48.5142 cm^3
• Polarizability: 19.450315 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false