3-(methoxymethyl)-1-[(5-propylfuran-2-yl)methyl]piperidine

• ChemBase ID: 602752
• Molecular Formular: C15H25NO2
• Molecular Mass: 251.3645
• Monoisotopic Mass: 251.18852905
• SMILES: c1(oc(cc1)CCC)CN1CC(COC)CCC1
• Canonical SMILES: CCCc1ccc(o1)CN1CCCC(C1)COC
• InChI: InChI=1S/C15H25NO2/c1-3-5-14-7-8-15(18-14)11-16-9-4-6-13(10-16)12-17-2/h7-8,13H,3-6,9-12H2,1-2H3
• InChIKey: BUQXONFKMGMMSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methoxymethyl)-1-[(5-propylfuran-2-yl)methyl]piperidine
• IUPAC Traditional name: 3-(methoxymethyl)-1-[(5-propylfuran-2-yl)methyl]piperidine
• Synonyms: 3-(methoxymethyl)-1-[(5-propyl-2-furyl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.50849545
• LogD (pH = 7.4): 1.1515808
• Log P: 2.604885
• Molar Refractivity: 74.461 cm^3
• Polarizability: 28.858343 Å^3
• Polar Surface Area: 25.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.86
• LOG S: -2.47
• Polar Surface Area: 25.61 Å^2
• Rotatable Bonds: 6