6-(piperidin-4-yl)pyridin-3-amine

• ChemBase ID: 813925
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: n1cc(ccc1C1CCNCC1)N
• Canonical SMILES: Nc1ccc(nc1)C1CCNCC1
• InChI: InChI=1S/C10H15N3/c11-9-1-2-10(13-7-9)8-3-5-12-6-4-8/h1-2,7-8,12H,3-6,11H2
• InChIKey: GIIQBDSNDJOXAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(piperidin-4-yl)pyridin-3-amine
• IUPAC Traditional name: 6-(piperidin-4-yl)pyridin-3-amine
• Synonyms: 6-(piperidin-4-yl)pyridin-3-amine

Database IDs

• CAS Number: 845788-64-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.0727396
• LogD (pH = 7.4): -2.3735657
• Log P: 0.1615955
• Molar Refractivity: 53.6246 cm^3
• Polarizability: 20.500582 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%