4-(2-{1-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperidin-2-yl}ethyl)morpholine

• ChemBase ID: 708814
• Molecular Formular: C21H32N2O2
• Molecular Mass: 344.49098
• Monoisotopic Mass: 344.24637827
• SMILES: N1(C(CCN2CCOCC2)CCCC1)C/C=C/c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)/C=C/CN1CCCCC1CCN1CCOCC1
• InChI: InChI=1S/C21H32N2O2/c1-24-21-9-7-19(8-10-21)5-4-13-23-12-3-2-6-20(23)11-14-22-15-17-25-18-16-22/h4-5,7-10,20H,2-3,6,11-18H2,1H3/b5-4+
• InChIKey: XQEXSOKOAVLOAP-SNAWJCMRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-{1-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperidin-2-yl}ethyl)morpholine
• IUPAC Traditional name: 4-(2-{1-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperidin-2-yl}ethyl)morpholine
• Synonyms: 4-(2-{1-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperidin-2-yl}ethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8196711
• LogD (pH = 7.4): 1.3050139
• Log P: 3.137124
• Molar Refractivity: 105.1537 cm^3
• Polarizability: 40.76838 Å^3
• Polar Surface Area: 24.94 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: 3.12
• LOG S: -3.37
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 7