1-(1-benzofuran-2-carbonyl)piperazine

• ChemBase ID: 256334
• Molecular Formular: C13H14N2O2
• Molecular Mass: 230.26246
• Monoisotopic Mass: 230.1055277
• SMILES: c1(C(=O)N2CCNCC2)oc2c(c1)cccc2
• Canonical SMILES: O=C(c1cc2c(o1)cccc2)N1CCNCC1
• InChI: InChI=1S/C13H14N2O2/c16-13(15-7-5-14-6-8-15)12-9-10-3-1-2-4-11(10)17-12/h1-4,9,14H,5-8H2
• InChIKey: WJVXIKZHQABTJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-benzofuran-2-carbonyl)piperazine
• IUPAC Traditional name: 1-(1-benzofuran-2-carbonyl)piperazine
• Synonyms: 1-(1-benzofuran-2-ylcarbonyl)piperazine

Database IDs

• MDL Number: MFCD08444706
• PubChem SID: 164312244
• PubChem CID: 12725065

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4594859
• LogD (pH = 7.4): 0.25438747
• Log P: 0.8144344
• Molar Refractivity: 64.4038 cm^3
• Polarizability: 25.710093 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.318

Product Information

• Purity: 95%