ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{[6-(1-azepanylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]methyl}-1-piperazinecarboxylate | C22H35N3O5

2-Methyl-2-propanyl 4-{[6-(1-azepanylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]methyl}-1-piperazinecarboxylate

  • Molecular FormulaC22H35N3O5
  • Average mass421.530 Da
  • Monoisotopic mass421.257660 Da
  • ChemSpider ID32515207

More details:

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

1-Piperazinecarboxylic acid, 4-[[6-[(hexahydro-1H-azepin-1-yl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[6-(1-azepanylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]methyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[6-(1-azepanylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]methyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{[6-(1-Azépanylméthyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]méthyl}-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1630905-57-5 [RN]
tert-butyl 4-((6-(azepan-1-ylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl)methyl)piperazine-1-carboxylate
TERT-BUTYL 4-({6-[(AZEPAN-1-YL)METHYL]-3-HYDROXY-4-OXO-4H-PYRAN-2-YL}METHYL)PIPERAZINE-1-CARBOXYLATE
tert-butyl 4-[[6-(azepan-1-ylmethyl)-3-hydroxy-4-oxopyran-2-yl]methyl]piperazine-1-carboxylate
tert-butyl 4-{[6-(azepan-1-ylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]methyl}piperazine-1-carboxylate
TERT-BUTYL 4-{[6-(AZEPAN-1-YLMETHYL)-3-HYDROXY-4-OXOPYRAN-2-YL]METHYL}PIPERAZINE-1-CARBOXYLATE

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 558.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.4 mmHg at 25°C
    Enthalpy of Vaporization: 96.5±6.0 kJ/mol
    Flash Point: 291.4±30.1 °C
    Index of Refraction: 1.557
    Molar Refractivity: 112.6±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.34
    ACD/LogD (pH 5.5): -1.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.76
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 10.89
    Polar Surface Area: 83 Å2
    Polarizability: 44.6±0.5 10-24cm3
    Surface Tension: 50.0±3.0 dyne/cm
    Molar Volume: 349.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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