6-(piperidin-3-yl)pyridine-3-carboxamide dihydrochloride

• ChemBase ID: 62792
• Molecular Formular: C11H17Cl2N3O
• Molecular Mass: 278.17818
• Monoisotopic Mass: 277.07486754
• SMILES: c1(C(=O)N)cnc(C2CNCCC2)cc1.Cl.Cl
• Canonical SMILES: NC(=O)c1ccc(nc1)C1CCCNC1.Cl.Cl
• InChI: InChI=1S/C11H15N3O.2ClH/c12-11(15)9-3-4-10(14-7-9)8-2-1-5-13-6-8;;/h3-4,7-8,13H,1-2,5-6H2,(H2,12,15);2*1H
• InChIKey: KRGCIMVKZMUWMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(piperidin-3-yl)pyridine-3-carboxamide dihydrochloride
• IUPAC Traditional name: 6-(piperidin-3-yl)pyridine-3-carboxamide dihydrochloride
• Synonyms: 1',2',3',4',5',6'-Hexahydro-[2,3']bipyridinyl-5-carboxylic acid amide dihydrochloride

Database IDs

• MDL Number: MFCD21606071
• PubChem SID: 162028531
• PubChem CID: 71298805

CALCULATED PROPERTIES

• Acid pKa: 13.59996
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.1985884
• LogD (pH = 7.4): -2.2469068
• Log P: -0.0029308
• Molar Refractivity: 57.8486 cm^3
• Polarizability: 22.191307 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false