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

• ChemBase ID: 48508
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: c1(N2CCCCC2)ncccc1N
• Canonical SMILES: Nc1cccnc1N1CCCCC1
• InChI: InChI=1S/C10H15N3/c11-9-5-4-6-12-10(9)13-7-2-1-3-8-13/h4-6H,1-3,7-8,11H2
• InChIKey: SNRAPFORRCKQQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08700153
• PubChem SID: 162053271
• PubChem CID: 16788762

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false