4-({4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl}methyl)morpholine

• ChemBase ID: 614430
• Molecular Formular: C19H30N2O2
• Molecular Mass: 318.4537
• Monoisotopic Mass: 318.23072821
• SMILES: N1(CC(CCC1)C)CCOc1ccc(CN2CCOCC2)cc1
• Canonical SMILES: CC1CCCN(C1)CCOc1ccc(cc1)CN1CCOCC1
• InChI: InChI=1S/C19H30N2O2/c1-17-3-2-8-20(15-17)11-14-23-19-6-4-18(5-7-19)16-21-9-12-22-13-10-21/h4-7,17H,2-3,8-16H2,1H3
• InChIKey: PAJWZQMQUDFUJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl}methyl)morpholine
• IUPAC Traditional name: 4-({4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl}methyl)morpholine
• Synonyms: 4-{4-[2-(3-methylpiperidin-1-yl)ethoxy]benzyl}morpholine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0
• Log P: 2.59
• LOG S: -2.73

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7005851
• LogD (pH = 7.4): 0.934714
• Log P: 2.7724543
• Molar Refractivity: 94.7711 cm^3
• Polarizability: 37.238728 Å^3
• Polar Surface Area: 24.94 Å^2