N-(1-benzylpiperidin-4-yl)-2-bromoacetamide

• ChemBase ID: 309115
• Molecular Formular: C14H19BrN2O
• Molecular Mass: 311.21746
• Monoisotopic Mass: 310.06807524
• SMILES: N1(Cc2ccccc2)CCC(NC(=O)CBr)CC1
• Canonical SMILES: BrCC(=O)NC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C14H19BrN2O/c15-10-14(18)16-13-6-8-17(9-7-13)11-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,16,18)
• InChIKey: IOINEOJXCXIGON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-benzylpiperidin-4-yl)-2-bromoacetamide
• IUPAC Traditional name: N-(1-benzylpiperidin-4-yl)-2-bromoacetamide
• Synonyms: N-(1-benzylpiperidin-4-yl)-2-bromoacetamide

Database IDs

• CAS Number: 209223-86-9
• MDL Number: MFCD16493946

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3072773
• LogD (pH = 7.4): 0.4171955
• Log P: 1.6675061
• Molar Refractivity: 77.163 cm^3
• Polarizability: 29.702965 Å^3
• Polar Surface Area: 32.34 Å^2