N-(piperidin-4-yl)pyridin-2-amine dihydrochloride

• ChemBase ID: 262214
• Molecular Formular: C10H17Cl2N3
• Molecular Mass: 250.16808
• Monoisotopic Mass: 249.07995292
• SMILES: c1(ncccc1)NC1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)Nc1ccccn1.Cl.Cl
• InChI: InChI=1S/C10H15N3.2ClH/c1-2-6-12-10(3-1)13-9-4-7-11-8-5-9;;/h1-3,6,9,11H,4-5,7-8H2,(H,12,13);2*1H
• InChIKey: PQDGQOLXEOEJOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-yl)pyridin-2-amine dihydrochloride
• IUPAC Traditional name: N-(piperidin-4-yl)pyridin-2-amine dihydrochloride
• Synonyms: N-(piperidin-4-yl)pyridin-2-amine dihydrochloride

Database IDs

• MDL Number: MFCD12913097
• PubChem SID: 164318124
• PubChem CID: 21978282

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.7396784
• LogD (pH = 7.4): -2.09132
• Log P: 0.46656725
• Molar Refractivity: 54.5648 cm^3
• Polarizability: 20.579681 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 324 - 326°C
• Hydrophobicity(logP): 0.728

Product Information

• Purity: 95%