2-amino-N-[6-(piperidin-1-yl)pyridin-3-yl]propanamide dihydrochloride

• ChemBase ID: 268474
• Molecular Formular: C13H22Cl2N4O
• Molecular Mass: 321.24598
• Monoisotopic Mass: 320.1170667
• SMILES: C(=O)(Nc1cnc(N2CCCCC2)cc1)C(N)C.Cl.Cl
• Canonical SMILES: CC(C(=O)Nc1ccc(nc1)N1CCCCC1)N.Cl.Cl
• InChI: InChI=1S/C13H20N4O.2ClH/c1-10(14)13(18)16-11-5-6-12(15-9-11)17-7-3-2-4-8-17;;/h5-6,9-10H,2-4,7-8,14H2,1H3,(H,16,18);2*1H
• InChIKey: MHWOTYWVUKEAGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[6-(piperidin-1-yl)pyridin-3-yl]propanamide dihydrochloride
• IUPAC Traditional name: 2-amino-N-[6-(piperidin-1-yl)pyridin-3-yl]propanamide dihydrochloride
• Synonyms: 2-amino-N-[6-(piperidin-1-yl)pyridin-3-yl]propanamide dihydrochloride

Database IDs

• MDL Number: MFCD16622126
• PubChem SID: 164324384
• PubChem CID: 47003328

CALCULATED PROPERTIES

• Acid pKa: 12.956882
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6556199
• LogD (pH = 7.4): 0.30034128
• Log P: 1.1907856
• Molar Refractivity: 73.5018 cm^3
• Polarizability: 27.29522 Å^3
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.277

Product Information

• Purity: 95%