ChemSpider 2D Image | 1-[4-(2-Chlorobenzyl)-1-piperazinyl]-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]ethanone | C22H28ClN3O2

1-[4-(2-Chlorobenzyl)-1-piperazinyl]-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]ethanone

  • Molecular FormulaC22H28ClN3O2
  • Average mass401.930 Da
  • Monoisotopic mass401.187012 Da
  • ChemSpider ID32515152

More details:

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

1-[4-(2-Chlorbenzyl)-1-piperazinyl]-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]ethanon [German] [ACD/IUPAC Name]
1-[4-(2-Chlorobenzyl)-1-piperazinyl]-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]ethanone [ACD/IUPAC Name]
1-[4-(2-Chlorobenzyl)-1-pipérazinyl]-2-[4-(1H-pyrrol-1-yl)tétrahydro-2H-pyran-4-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-2-[tetrahydro-4-(1H-pyrrol-1-yl)-2H-pyran-4-yl]- [ACD/Index Name]
1-(2-chlorobenzyl)-4-{[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]acetyl}piperazine
1-[4-(2-chlorobenzyl)piperazin-1-yl]-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]ethanone
1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-(4-pyrrol-1-yloxan-4-yl)ethanone
1-{4-[(2-CHLOROPHENYL)METHYL]PIPERAZIN-1-YL}-2-[4-(1H-PYRROL-1-YL)OXAN-4-YL]ETHAN-1-ONE
1-{4-[(2-CHLOROPHENYL)METHYL]PIPERAZIN-1-YL}-2-[4-(PYRROL-1-YL)OXAN-4-YL]ETHANONE
1630900-74-1 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 566.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.1±3.0 kJ/mol
    Flash Point: 296.4±30.1 °C
    Index of Refraction: 1.616
    Molar Refractivity: 113.0±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.99
    ACD/LogD (pH 5.5): 2.96
    ACD/BCF (pH 5.5): 95.30
    ACD/KOC (pH 5.5): 808.55
    ACD/LogD (pH 7.4): 3.14
    ACD/BCF (pH 7.4): 142.63
    ACD/KOC (pH 7.4): 1210.06
    Polar Surface Area: 38 Å2
    Polarizability: 44.8±0.5 10-24cm3
    Surface Tension: 49.0±7.0 dyne/cm
    Molar Volume: 323.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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