ChemSpider 2D Image | 3-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-2-hydroxy-5-(1-piperidinylmethyl)-4H-pyran-4-one | C23H30N2O5

3-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-2-hydroxy-5-(1-piperidinylmethyl)-4H-pyran-4-one

  • Molecular FormulaC23H30N2O5
  • Average mass414.495 Da
  • Monoisotopic mass414.215485 Da
  • ChemSpider ID29769384

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)methyl]-2-hydroxy-5-(1-piperidinylmethyl)-4H-pyran-4-on [German] [ACD/IUPAC Name]
3-[(6,7-Diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)méthyl]-2-hydroxy-5-(1-pipéridinylméthyl)-4H-pyran-4-one [French] [ACD/IUPAC Name]
3-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-2-hydroxy-5-(1-piperidinylmethyl)-4H-pyran-4-one [ACD/IUPAC Name]
4H-Pyran-4-one, 3-[(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)methyl]-2-hydroxy-5-(1-piperidinylmethyl)- [ACD/Index Name]
1401544-73-7 [RN]
3-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-2-hydroxy-5-(piperidin-1-ylmethyl)-4H-pyran-4-one

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 584.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.9±3.0 kJ/mol
    Flash Point: 307.4±30.1 °C
    Index of Refraction: 1.597
    Molar Refractivity: 112.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.65
    ACD/LogD (pH 5.5): 0.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.78
    ACD/LogD (pH 7.4): 0.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.36
    Polar Surface Area: 71 Å2
    Polarizability: 44.8±0.5 10-24cm3
    Surface Tension: 52.1±3.0 dyne/cm
    Molar Volume: 331.6±3.0 cm3

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