ChemSpider 2D Image | 2-(2-{4-[2-(4-Benzyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione | C32H36N4O3

2-(2-{4-[2-(4-Benzyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

  • Molecular FormulaC32H36N4O3
  • Average mass524.653 Da
  • Monoisotopic mass524.278748 Da
  • ChemSpider ID35004701

More details:

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

1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[2-[4-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-1-piperazinyl]ethyl]- [ACD/Index Name]
2-(2-{4-[2-(4-Benzyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl}ethyl)-1H-benzo[de]isochinolin-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-(2-{4-[2-(4-Benzyl-1-pipéridinyl)-2-oxoéthyl]-1-pipérazinyl}éthyl)-1H-benzo[de]isoquinoléine-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-(2-{4-[2-(4-Benzyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione [ACD/IUPAC Name]
2-(2-(4-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
2034362-08-6 [RN]
3-(2-{4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 726.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 312.6±23.9 °C
Index of Refraction: 1.637
Molar Refractivity: 151.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 29.44
ACD/KOC (pH 5.5): 176.20
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 408.38
ACD/KOC (pH 7.4): 2444.45
Polar Surface Area: 64 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 422.0±3.0 cm3

Click to predict properties on the Chemicalize site


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