(2R)-2-amino-1-[4-(2-fluorophenoxy)piperidin-1-yl]-4-methylpentan-1-one

• ChemBase ID: 537062
• Molecular Formular: C17H25FN2O2
• Molecular Mass: 308.3910032
• Monoisotopic Mass: 308.19000627
• SMILES: C(=O)(N1CCC(Oc2c(F)cccc2)CC1)[C@@H](CC(C)C)N
• Canonical SMILES: CC(C[C@H](C(=O)N1CCC(CC1)Oc1ccccc1F)N)C
• InChI: InChI=1S/C17H25FN2O2/c1-12(2)11-15(19)17(21)20-9-7-13(8-10-20)22-16-6-4-3-5-14(16)18/h3-6,12-13,15H,7-11,19H2,1-2H3/t15-/m1/s1
• InChIKey: OXCUJHWKPQSJPO-OAHLLOKOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-1-[4-(2-fluorophenoxy)piperidin-1-yl]-4-methylpentan-1-one
• IUPAC Traditional name: (2R)-2-amino-1-[4-(2-fluorophenoxy)piperidin-1-yl]-4-methylpentan-1-one
• Synonyms: ((1R)-1-{[4-(2-fluorophenoxy)piperidin-1-yl]carbonyl}-3-methylbutyl)amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 2.94
• LOG S: -3.96
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1

JChem

• Molar Refractivity: 83.9871 cm^3
• Polarizability: 32.930748 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.56460404
• LogD (pH = 7.4): 1.050564
• Log P: 2.1107216