2-{3-[(4-fluoropiperidin-1-yl)methyl]phenoxy}acetamide

• ChemBase ID: 537479
• Molecular Formular: C14H19FN2O2
• Molecular Mass: 266.3112632
• Monoisotopic Mass: 266.14305608
• SMILES: N1(Cc2cc(OCC(=O)N)ccc2)CCC(CC1)F
• Canonical SMILES: FC1CCN(CC1)Cc1cccc(c1)OCC(=O)N
• InChI: InChI=1S/C14H19FN2O2/c15-12-4-6-17(7-5-12)9-11-2-1-3-13(8-11)19-10-14(16)18/h1-3,8,12H,4-7,9-10H2,(H2,16,18)
• InChIKey: KEOMUIJJDZOMBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3-[(4-fluoropiperidin-1-yl)methyl]phenoxy}acetamide
• IUPAC Traditional name: 2-{3-[(4-fluoropiperidin-1-yl)methyl]phenoxy}acetamide
• Synonyms: 2-{3-[(4-fluoropiperidin-1-yl)methyl]phenoxy}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.52365
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.120483
• LogD (pH = 7.4): -0.35179067
• Log P: 0.6371634
• Molar Refractivity: 71.0029 cm^3
• Polarizability: 27.447178 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.58
• LOG S: -1.64
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 5