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

• ChemBase ID: 245526
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: N1(c2ncccc2)CC(N)CCC1
• Canonical SMILES: NC1CCCN(C1)c1ccccn1
• InChI: InChI=1S/C10H15N3/c11-9-4-3-7-13(8-9)10-5-1-2-6-12-10/h1-2,5-6,9H,3-4,7-8,11H2
• InChIKey: PTJPUGUXHUHAKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14620183
• PubChem SID: 164301436
• PubChem CID: 45786784

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9763101
• LogD (pH = 7.4): -1.2371714
• Log P: 1.1266555
• Molar Refractivity: 53.8042 cm^3
• Polarizability: 20.579067 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.776

Product Information

• Purity: 95%