1-benzyl-N-(3,4-difluorophenyl)piperidin-3-amine

• ChemBase ID: 686377
• Molecular Formular: C18H20F2N2
• Molecular Mass: 302.3616064
• Monoisotopic Mass: 302.15945509
• SMILES: N1(CC(Nc2cc(c(cc2)F)F)CCC1)Cc1ccccc1
• Canonical SMILES: Fc1ccc(cc1F)NC1CCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C18H20F2N2/c19-17-9-8-15(11-18(17)20)21-16-7-4-10-22(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16,21H,4,7,10,12-13H2
• InChIKey: OORGKEMGYVZOGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8683995
• LogD (pH = 7.4): 2.5520988
• Log P: 3.94011
• Molar Refractivity: 86.5275 cm^3
• Polarizability: 32.20829 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 4.8
• LOG S: -4.15
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4