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

• ChemBase ID: 258375
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: N1(c2cnc(N)cc2)CCCCC1
• Canonical SMILES: Nc1ccc(cn1)N1CCCCC1
• InChI: InChI=1S/C10H15N3/c11-10-5-4-9(8-12-10)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H2,11,12)
• InChIKey: NEUQZUUDMLYGQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(piperidin-1-yl)pyridin-2-amine
• IUPAC Traditional name: 5-(piperidin-1-yl)pyridin-2-amine
• Synonyms: 5-piperidin-1-ylpyridin-2-amine

Database IDs

• MDL Number: MFCD10009548
• PubChem SID: 164314285
• PubChem CID: 11298277

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.3349509
• LogD (pH = 7.4): 1.370755
• Log P: 1.479515
• Molar Refractivity: 55.4856 cm^3
• Polarizability: 20.186327 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.225

Product Information

• Purity: 95%