3-{[2-(3-fluorophenyl)piperidin-1-yl]methyl}pyridin-2-amine

• ChemBase ID: 484271
• Molecular Formular: C17H20FN3
• Molecular Mass: 285.3592032
• Monoisotopic Mass: 285.16412588
• SMILES: N1(Cc2c(nccc2)N)C(c2cc(F)ccc2)CCCC1
• Canonical SMILES: Fc1cccc(c1)C1CCCCN1Cc1cccnc1N
• InChI: InChI=1S/C17H20FN3/c18-15-7-3-5-13(11-15)16-8-1-2-10-21(16)12-14-6-4-9-20-17(14)19/h3-7,9,11,16H,1-2,8,10,12H2,(H2,19,20)
• InChIKey: RACUHAQVMDKPSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[2-(3-fluorophenyl)piperidin-1-yl]methyl}pyridin-2-amine
• IUPAC Traditional name: 3-{[2-(3-fluorophenyl)piperidin-1-yl]methyl}pyridin-2-amine
• Synonyms: 3-{[2-(3-fluorophenyl)-1-piperidinyl]methyl}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9485637
• LogD (pH = 7.4): 2.710994
• Log P: 3.23981
• Molar Refractivity: 84.0989 cm^3
• Polarizability: 31.65263 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.64
• LOG S: -2.53
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 3