ChemSpider 2D Image | Ethyl 4-{1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-piperidinyl}-1-piperazinecarboxylate | C21H31N3O5

Ethyl 4-{1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-piperidinyl}-1-piperazinecarboxylate

  • Molecular FormulaC21H31N3O5
  • Average mass405.488 Da
  • Monoisotopic mass405.226379 Da
  • ChemSpider ID22239568

More details:

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

1-Piperazinecarboxylic acid, 4-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-piperidinyl]-, ethyl ester [ACD/Index Name]
4-{1-[(7-Méthoxy-1,3-benzodioxol-5-yl)méthyl]-3-pipéridinyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-piperidinyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-piperidinyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 515.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.4±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 107.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.84
Polar Surface Area: 64 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 327.3±3.0 cm3

Click to predict properties on the Chemicalize site


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