3-[4-(piperidine-1-carbonyl)phenyl]pyridin-4-amine

• ChemBase ID: 617506
• Molecular Formular: C17H19N3O
• Molecular Mass: 281.35226
• Monoisotopic Mass: 281.15281224
• SMILES: C(=O)(N1CCCCC1)c1ccc(c2c(N)ccnc2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)c1cnccc1N)N1CCCCC1
• InChI: InChI=1S/C17H19N3O/c18-16-8-9-19-12-15(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: LQISNCOSPCMYLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(piperidine-1-carbonyl)phenyl]pyridin-4-amine
• IUPAC Traditional name: 3-[4-(piperidine-1-carbonyl)phenyl]pyridin-4-amine
• Synonyms: 3-[4-(piperidin-1-ylcarbonyl)phenyl]pyridin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7398725
• LogD (pH = 7.4): 0.91568273
• Log P: 1.7222314
• Molar Refractivity: 84.7515 cm^3
• Polarizability: 32.84496 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.96
• LOG S: -2.92
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 2