1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine

• ChemBase ID: 590780
• Molecular Formular: C15H25NO3
• Molecular Mass: 267.3639
• Monoisotopic Mass: 267.18344367
• SMILES: c1(oc(cc1)CC)CN1CCC(CC1)OCCOC
• Canonical SMILES: COCCOC1CCN(CC1)Cc1ccc(o1)CC
• InChI: InChI=1S/C15H25NO3/c1-3-13-4-5-15(19-13)12-16-8-6-14(7-9-16)18-11-10-17-2/h4-5,14H,3,6-12H2,1-2H3
• InChIKey: IJZULBNJCBOQQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine
• IUPAC Traditional name: 1-[(5-ethylfuran-2-yl)methyl]-4-(2-methoxyethoxy)piperidine
• Synonyms: 1-[(5-ethyl-2-furyl)methyl]-4-(2-methoxyethoxy)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.1545967
• LogD (pH = 7.4): 0.6133064
• Log P: 1.6111835
• Molar Refractivity: 76.1843 cm^3
• Polarizability: 29.553122 Å^3
• Polar Surface Area: 34.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.74
• LOG S: -1.63
• Polar Surface Area: 34.84 Å^2
• Rotatable Bonds: 7