5-methyl-6-(piperidin-1-yl)pyridin-3-amine dihydrochloride

• ChemBase ID: 246906
• Molecular Formular: C11H19Cl2N3
• Molecular Mass: 264.19466
• Monoisotopic Mass: 263.09560298
• SMILES: c1(ncc(cc1C)N)N1CCCCC1.Cl.Cl
• Canonical SMILES: Nc1cnc(c(c1)C)N1CCCCC1.Cl.Cl
• InChI: InChI=1S/C11H17N3.2ClH/c1-9-7-10(12)8-13-11(9)14-5-3-2-4-6-14;;/h7-8H,2-6,12H2,1H3;2*1H
• InChIKey: QOGXJPLGKHCZRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-6-(piperidin-1-yl)pyridin-3-amine dihydrochloride
• IUPAC Traditional name: 5-methyl-6-(piperidin-1-yl)pyridin-3-amine dihydrochloride
• Synonyms: 5-methyl-6-(piperidin-1-yl)pyridin-3-amine dihydrochloride

Database IDs

• PubChem SID: 164302816
• PubChem CID: 71758110

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6420074
• LogD (pH = 7.4): 1.709405
• Log P: 1.9929364
• Molar Refractivity: 60.5268 cm^3
• Polarizability: 21.952597 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 2.204

Product Information

• Purity: 95%