1-(1-benzofuran-2-ylmethyl)-3-(pyrrolidin-1-yl)piperidine

• ChemBase ID: 619949
• Molecular Formular: C18H24N2O
• Molecular Mass: 284.39596
• Monoisotopic Mass: 284.1888634
• SMILES: c1(oc2c(c1)cccc2)CN1CC(N2CCCC2)CCC1
• Canonical SMILES: C1CN(Cc2cc3c(o2)cccc3)CC(C1)N1CCCC1
• InChI: InChI=1S/C18H24N2O/c1-2-8-18-15(6-1)12-17(21-18)14-19-9-5-7-16(13-19)20-10-3-4-11-20/h1-2,6,8,12,16H,3-5,7,9-11,13-14H2
• InChIKey: BXGWNUDAJFQJRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-benzofuran-2-ylmethyl)-3-(pyrrolidin-1-yl)piperidine
• IUPAC Traditional name: 1-(1-benzofuran-2-ylmethyl)-3-(pyrrolidin-1-yl)piperidine
• Synonyms: 1-(1-benzofuran-2-ylmethyl)-3-(1-pyrrolidinyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.9189174
• LogD (pH = 7.4): 0.59335935
• Log P: 2.8837736
• Molar Refractivity: 86.0906 cm^3
• Polarizability: 34.775703 Å^3
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.62
• LOG S: -1.96
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 3