1-(furan-3-ylmethyl)-4-(2-phenoxyethyl)piperazine

• ChemBase ID: 658973
• Molecular Formular: C17H22N2O2
• Molecular Mass: 286.36878
• Monoisotopic Mass: 286.16812795
• SMILES: c1(cocc1)CN1CCN(CC1)CCOc1ccccc1
• Canonical SMILES: c1ccc(cc1)OCCN1CCN(CC1)Cc1cocc1
• InChI: InChI=1S/C17H22N2O2/c1-2-4-17(5-3-1)21-13-11-18-7-9-19(10-8-18)14-16-6-12-20-15-16/h1-6,12,15H,7-11,13-14H2
• InChIKey: ZGXMJJCZDGWKTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-3-ylmethyl)-4-(2-phenoxyethyl)piperazine
• IUPAC Traditional name: 1-(furan-3-ylmethyl)-4-(2-phenoxyethyl)piperazine
• Synonyms: 1-(3-furylmethyl)-4-(2-phenoxyethyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.29839242
• LogD (pH = 7.4): 2.022162
• Log P: 2.5460572
• Molar Refractivity: 83.7164 cm^3
• Polarizability: 32.679733 Å^3
• Polar Surface Area: 28.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.9
• LOG S: -1.9
• Polar Surface Area: 28.85 Å^2
• Rotatable Bonds: 6