1-[2-(1-benzofuran-2-yl)phenyl]piperazine

• ChemBase ID: 530611
• Molecular Formular: C18H18N2O
• Molecular Mass: 278.34832
• Monoisotopic Mass: 278.14191321
• SMILES: c1(oc2c(c1)cccc2)c1c(N2CCNCC2)cccc1
• Canonical SMILES: N1CCN(CC1)c1ccccc1c1cc2c(o1)cccc2
• InChI: InChI=1S/C18H18N2O/c1-4-8-17-14(5-1)13-18(21-17)15-6-2-3-7-16(15)20-11-9-19-10-12-20/h1-8,13,19H,9-12H2
• InChIKey: QNIMWIZHWSMELQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(1-benzofuran-2-yl)phenyl]piperazine
• IUPAC Traditional name: 1-[2-(1-benzofuran-2-yl)phenyl]piperazine
• Synonyms: 1-[2-(1-benzofuran-2-yl)phenyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.28508857
• LogD (pH = 7.4): 1.8247299
• Log P: 3.271711
• Molar Refractivity: 85.0968 cm^3
• Polarizability: 35.109978 Å^3
• Polar Surface Area: 28.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.47
• LOG S: -3.19
• Polar Surface Area: 28.41 Å^2
• Rotatable Bonds: 2