5-[4-(piperidine-1-carbonyl)phenyl]pyridin-2-amine

• ChemBase ID: 290672
• Molecular Formular: C17H19N3O
• Molecular Mass: 281.35226
• Monoisotopic Mass: 281.15281224
• SMILES: O=C(c1ccc(c2ccc(N)nc2)cc1)N1CCCCC1
• Canonical SMILES: Nc1ccc(cn1)c1ccc(cc1)C(=O)N1CCCCC1
• InChI: InChI=1S/C17H19N3O/c18-16-9-8-15(12-19-16)13-4-6-14(7-5-13)17(21)20-10-2-1-3-11-20/h4-9,12H,1-3,10-11H2,(H2,18,19)
• InChIKey: CLMXXYUYYGVPMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(piperidine-1-carbonyl)phenyl]pyridin-2-amine
• IUPAC Traditional name: 5-[4-(piperidine-1-carbonyl)phenyl]pyridin-2-amine
• Synonyms: (4-(6-Aminopyridin-3-yl)phenyl)(piperidin-1-yl)methanone

Database IDs

• CAS Number: 1314987-03-5
• PubChem SID: 180676203
• PubChem CID: 56777476

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.521273
• LogD (pH = 7.4): 2.2833405
• Log P: 2.3166888
• Molar Refractivity: 85.065 cm^3
• Polarizability: 32.84591 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%