ChemSpider 2D Image | 2-{4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl}hexahydro-1H-isoindole-1,3(2H)-dione | C20H29N5O2

2-{4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl}hexahydro-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC20H29N5O2
  • Average mass371.477 Da
  • Monoisotopic mass371.232117 Da
  • ChemSpider ID14906375

More details:

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

1H-Isoindole-1,3(2H)-dione, hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]- [ACD/Index Name]
2-{4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl}hexahydro-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl}hexahydro-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-{4-[4-(2-Pyrimidinyl)-1-pipérazinyl]butyl}hexahydro-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}hexahydro-1H-isoindole-1,3(2H)-dione
2-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-hexahydro-isoindole-1,3-dione
2-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-hexahydro-isoindole-1,3-dione;C4H4O4

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.2±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 101.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.05
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 9.12
ACD/KOC (pH 7.4): 134.03
Polar Surface Area: 70 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 310.6±3.0 cm3

Click to predict properties on the Chemicalize site


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