N-(4-fluorophenyl)-4-(hydroxyimino)piperidine-1-carboxamide

• ChemBase ID: 256268
• Molecular Formular: C12H14FN3O2
• Molecular Mass: 251.2568632
• Monoisotopic Mass: 251.10700492
• SMILES: C(=O)(N1CC/C(=N\O)/CC1)Nc1ccc(F)cc1
• Canonical SMILES: O/N=C/1\CCN(CC1)C(=O)Nc1ccc(cc1)F
• InChI: InChI=1S/C12H14FN3O2/c13-9-1-3-10(4-2-9)14-12(17)16-7-5-11(15-18)6-8-16/h1-4,18H,5-8H2,(H,14,17)
• InChIKey: PSEFIDWRIWNLAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-4-(hydroxyimino)piperidine-1-carboxamide
• IUPAC Traditional name: N-(4-fluorophenyl)-4-(hydroxyimino)piperidine-1-carboxamide
• Synonyms: N-(4-fluorophenyl)-4-(hydroxyimino)piperidine-1-carboxamide

Database IDs

• MDL Number: MFCD09944125
• PubChem SID: 164312178
• PubChem CID: 24704788

CALCULATED PROPERTIES

• Acid pKa: 10.510891
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4599025
• LogD (pH = 7.4): 1.4595729
• Log P: 1.4599078
• Molar Refractivity: 65.9046 cm^3
• Polarizability: 24.142715 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 1.42

Product Information

• Purity: 95%