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

• ChemBase ID: 707244
• Molecular Formular: C11H14F2N2
• Molecular Mass: 212.2390664
• Monoisotopic Mass: 212.1125049
• SMILES: c1(cc(NC2CNCCC2)ccc1F)F
• Canonical SMILES: Fc1ccc(cc1F)NC1CCCNC1
• InChI: InChI=1S/C11H14F2N2/c12-10-4-3-8(6-11(10)13)15-9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2
• InChIKey: KPAUUEXQKGYTQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.349112
• LogD (pH = 7.4): -0.30307275
• Log P: 1.8325889
• Molar Refractivity: 56.6202 cm^3
• Polarizability: 20.829458 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 2
• Log P: 2.45
• LOG S: -1.83
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2