2-(piperidin-1-yl)pyridin-3-amine dihydrochloride

• ChemBase ID: 261965
• Molecular Formular: C10H17Cl2N3
• Molecular Mass: 250.16808
• Monoisotopic Mass: 249.07995292
• SMILES: c1(N2CCCCC2)ncccc1N.Cl.Cl
• Canonical SMILES: Nc1cccnc1N1CCCCC1.Cl.Cl
• InChI: InChI=1S/C10H15N3.2ClH/c11-9-5-4-6-12-10(9)13-7-2-1-3-8-13;;/h4-6H,1-3,7-8,11H2;2*1H
• InChIKey: RUTHEVZQLKFFRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)pyridin-3-amine dihydrochloride
• IUPAC Traditional name: 2-(piperidin-1-yl)pyridin-3-amine dihydrochloride
• Synonyms: 2-(piperidin-1-yl)pyridin-3-amine dihydrochloride

Database IDs

• MDL Number: MFCD12913039
• PubChem SID: 164317875
• PubChem CID: 45791943

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.26873168
• LogD (pH = 7.4): 1.337703
• Log P: 1.479515
• Molar Refractivity: 55.4856 cm^3
• Polarizability: 20.187996 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.705

Product Information

• Purity: 95%