1-(furan-2-ylmethyl)-4-(oxolane-3-carbonyl)piperazine

• ChemBase ID: 762583
• Molecular Formular: C14H20N2O3
• Molecular Mass: 264.3202
• Monoisotopic Mass: 264.14739251
• SMILES: C(=O)(N1CCN(Cc2occc2)CC1)C1COCC1
• Canonical SMILES: O=C(C1CCOC1)N1CCN(CC1)Cc1ccco1
• InChI: InChI=1S/C14H20N2O3/c17-14(12-3-9-18-11-12)16-6-4-15(5-7-16)10-13-2-1-8-19-13/h1-2,8,12H,3-7,9-11H2
• InChIKey: RHFJEQRNNLZZGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-ylmethyl)-4-(oxolane-3-carbonyl)piperazine
• IUPAC Traditional name: 1-(furan-2-ylmethyl)-4-(oxolane-3-carbonyl)piperazine
• Synonyms: 1-(2-furylmethyl)-4-(tetrahydrofuran-3-ylcarbonyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7544645
• LogD (pH = 7.4): 0.14135408
• Log P: 0.18124773
• Molar Refractivity: 71.3086 cm^3
• Polarizability: 27.59974 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.09
• LOG S: -2.52
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 3