N-(3,4-difluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-3-amine

• ChemBase ID: 709152
• Molecular Formular: C17H19F2N3
• Molecular Mass: 303.3496664
• Monoisotopic Mass: 303.15470406
• SMILES: N1(Cc2cnccc2)CC(Nc2cc(c(cc2)F)F)CCC1
• Canonical SMILES: Fc1ccc(cc1F)NC1CCCN(C1)Cc1cccnc1
• InChI: InChI=1S/C17H19F2N3/c18-16-6-5-14(9-17(16)19)21-15-4-2-8-22(12-15)11-13-3-1-7-20-10-13/h1,3,5-7,9-10,15,21H,2,4,8,11-12H2
• InChIKey: TYZFXCTWJAJFRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-difluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-3-amine
• IUPAC Traditional name: N-(3,4-difluorophenyl)-1-(pyridin-3-ylmethyl)piperidin-3-amine
• Synonyms: N-(3,4-difluorophenyl)-1-(3-pyridinylmethyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.15634687
• LogD (pH = 7.4): 1.9288962
• Log P: 2.7224376
• Molar Refractivity: 84.3706 cm^3
• Polarizability: 31.32668 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.31
• LOG S: -3.5
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 4