4-(2-{1-[2-(benzyloxy)ethyl]piperidin-2-yl}ethyl)morpholine

• ChemBase ID: 836764
• Molecular Formular: C20H32N2O2
• Molecular Mass: 332.48028
• Monoisotopic Mass: 332.24637827
• SMILES: N1(C(CCN2CCOCC2)CCCC1)CCOCc1ccccc1
• Canonical SMILES: O1CCN(CC1)CCC1CCCCN1CCOCc1ccccc1
• InChI: InChI=1S/C20H32N2O2/c1-2-6-19(7-3-1)18-24-17-14-22-10-5-4-8-20(22)9-11-21-12-15-23-16-13-21/h1-3,6-7,20H,4-5,8-18H2
• InChIKey: RVYRXBPRRKUPTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-{1-[2-(benzyloxy)ethyl]piperidin-2-yl}ethyl)morpholine
• IUPAC Traditional name: 4-(2-{1-[2-(benzyloxy)ethyl]piperidin-2-yl}ethyl)morpholine
• Synonyms: 4-(2-{1-[2-(benzyloxy)ethyl]-2-piperidinyl}ethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3954145
• LogD (pH = 7.4): 0.5060503
• Log P: 2.6379042
• Molar Refractivity: 99.4154 cm^3
• Polarizability: 39.09913 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.54
• LOG S: -2.79
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 8