1-(4-bromobenzoyl)piperidine

• ChemBase ID: 310721
• Molecular Formular: C12H14BrNO
• Molecular Mass: 268.14966
• Monoisotopic Mass: 267.02587607
• SMILES: C(=O)(N1CCCCC1)c1ccc(cc1)Br
• Canonical SMILES: O=C(c1ccc(cc1)Br)N1CCCCC1
• InChI: InChI=1S/C12H14BrNO/c13-11-6-4-10(5-7-11)12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
• InChIKey: IXWFXRPZWAIOTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-bromobenzoyl)piperidine
• IUPAC Traditional name: 1-(4-bromobenzoyl)piperidine
• Synonyms: 1-(4-bromobenzoyl)piperidine

Database IDs

• CAS Number: 98612-93-2
• MDL Number: MFCD00447936

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8903568
• LogD (pH = 7.4): 2.890357
• Log P: 2.890357
• Molar Refractivity: 64.6946 cm^3
• Polarizability: 24.411087 Å^3
• Polar Surface Area: 20.31 Å^2