(3S)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-amine

• ChemBase ID: 821622
• Molecular Formular: C15H16FN3O
• Molecular Mass: 273.3054432
• Monoisotopic Mass: 273.12774037
• SMILES: n1c(C(=O)N2C[C@@H](N)CCC2)ccc2c1c(F)ccc2
• Canonical SMILES: N[C@H]1CCCN(C1)C(=O)c1ccc2c(n1)c(F)ccc2
• InChI: InChI=1S/C15H16FN3O/c16-12-5-1-3-10-6-7-13(18-14(10)12)15(20)19-8-2-4-11(17)9-19/h1,3,5-7,11H,2,4,8-9,17H2/t11-/m0/s1
• InChIKey: FWSNKRNFUHLQDA-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-amine
• IUPAC Traditional name: (3S)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-amine
• Synonyms: (3S)-1-[(8-fluoroquinolin-2-yl)carbonyl]piperidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3533753
• LogD (pH = 7.4): -0.3517538
• Log P: 1.6260259
• Molar Refractivity: 73.8565 cm^3
• Polarizability: 29.44043 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.27
• LOG S: -2.28
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 1