ChemSpider 2D Image | 2-({4-[3-(Dimethylamino)propyl]-1-piperazinyl}methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one | C16H27N3O4

2-({4-[3-(Dimethylamino)propyl]-1-piperazinyl}methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one

  • Molecular FormulaC16H27N3O4
  • Average mass325.403 Da
  • Monoisotopic mass325.200165 Da
  • ChemSpider ID27324839

More details:

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

2-({4-[3-(Dimethylamino)propyl]-1-piperazinyl}methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-on [German] [ACD/IUPAC Name]
2-({4-[3-(Dimethylamino)propyl]-1-piperazinyl}methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one [ACD/IUPAC Name]
2-({4-[3-(Diméthylamino)propyl]-1-pipérazinyl}méthyl)-3-hydroxy-6-(hydroxyméthyl)-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2-[[4-[3-(dimethylamino)propyl]-1-piperazinyl]methyl]-3-hydroxy-6-(hydroxymethyl)- [ACD/Index Name]
1324093-04-0 [RN]
2-({4-[3-(dimethylamino)propyl]piperazin-1-yl}methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
2-({4-[3-(DIMETHYLAMINO)PROPYL]PIPERAZIN-1-YL}METHYL)-3-HYDROXY-6-(HYDROXYMETHYL)PYRAN-4-ONE
2-[[4-[3-(dimethylamino)propyl]piperazin-1-yl]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 521.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 91.4±6.0 kJ/mol
    Flash Point: 269.1±30.1 °C
    Index of Refraction: 1.566
    Molar Refractivity: 87.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 0.13
    ACD/LogD (pH 5.5): -4.31
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 34.5±0.5 10-24cm3
    Surface Tension: 51.5±3.0 dyne/cm
    Molar Volume: 266.7±3.0 cm3

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