4-(4,4-difluoropiperidine-1-carbonyl)-N-methylpyridin-2-amine

• ChemBase ID: 762216
• Molecular Formular: C12H15F2N3O
• Molecular Mass: 255.2638064
• Monoisotopic Mass: 255.11831856
• SMILES: C(=O)(N1CCC(CC1)(F)F)c1cc(ncc1)NC
• Canonical SMILES: CNc1nccc(c1)C(=O)N1CCC(CC1)(F)F
• InChI: InChI=1S/C12H15F2N3O/c1-15-10-8-9(2-5-16-10)11(18)17-6-3-12(13,14)4-7-17/h2,5,8H,3-4,6-7H2,1H3,(H,15,16)
• InChIKey: UWCXLAGBRPFOHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4,4-difluoropiperidine-1-carbonyl)-N-methylpyridin-2-amine
• IUPAC Traditional name: 4-(4,4-difluoropiperidine-1-carbonyl)-N-methylpyridin-2-amine
• Synonyms: 4-[(4,4-difluoropiperidin-1-yl)carbonyl]-N-methylpyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1013939
• LogD (pH = 7.4): 1.1892723
• Log P: 1.1905255
• Molar Refractivity: 64.8828 cm^3
• Polarizability: 23.276924 Å^3
• Polar Surface Area: 45.23 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: 0.31
• LOG S: -2.64
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 2