4-(4-methoxyphenoxy)-1-(oxolan-3-ylmethyl)piperidine

• ChemBase ID: 347876
• Molecular Formular: C17H25NO3
• Molecular Mass: 291.3853
• Monoisotopic Mass: 291.18344367
• SMILES: N1(CC2COCC2)CCC(Oc2ccc(cc2)OC)CC1
• Canonical SMILES: COc1ccc(cc1)OC1CCN(CC1)CC1COCC1
• InChI: InChI=1S/C17H25NO3/c1-19-15-2-4-16(5-3-15)21-17-6-9-18(10-7-17)12-14-8-11-20-13-14/h2-5,14,17H,6-13H2,1H3
• InChIKey: NFKFTJBCZKOLJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenoxy)-1-(oxolan-3-ylmethyl)piperidine
• IUPAC Traditional name: 4-(4-methoxyphenoxy)-1-(oxolan-3-ylmethyl)piperidine
• Synonyms: 4-(4-methoxyphenoxy)-1-(tetrahydro-3-furanylmethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.6577696
• LogD (pH = 7.4): -0.30699614
• Log P: 1.7034843
• Molar Refractivity: 83.0292 cm^3
• Polarizability: 32.696815 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.48
• LOG S: -2.44
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 5