1-(5-bromofuran-2-carbonyl)piperidine

• ChemBase ID: 310692
• Molecular Formular: C10H12BrNO2
• Molecular Mass: 258.11178
• Monoisotopic Mass: 257.00514063
• SMILES: c1(C(=O)N2CCCCC2)oc(cc1)Br
• Canonical SMILES: O=C(c1ccc(o1)Br)N1CCCCC1
• InChI: InChI=1S/C10H12BrNO2/c11-9-5-4-8(14-9)10(13)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2
• InChIKey: JPSKOTNVMVYOJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-bromofuran-2-carbonyl)piperidine
• IUPAC Traditional name: 1-(5-bromofuran-2-carbonyl)piperidine
• Synonyms: 1-(5-bromo-2-furoyl)piperidine

Database IDs

• CAS Number: 57785-36-1
• MDL Number: MFCD00460880

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6509591
• LogD (pH = 7.4): 1.6509591
• Log P: 1.6509591
• Molar Refractivity: 56.8675 cm^3
• Polarizability: 21.523638 Å^3
• Polar Surface Area: 33.45 Å^2