ChemSpider 2D Image | 4-{[(2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl](phenyl)methyl}-N,N-diethylbenzamide | C27H37N3O

4-{[(2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl](phenyl)methyl}-N,N-diethylbenzamide

  • Molecular FormulaC27H37N3O
  • Average mass419.602 Da
  • Monoisotopic mass419.293671 Da
  • ChemSpider ID24605924
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

4-{[(2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl](phenyl)methyl}-N,N-diethylbenzamid [German] [ACD/IUPAC Name]
4-{[(2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl](phenyl)methyl}-N,N-diethylbenzamide [ACD/IUPAC Name]
4-{[(2S,5R)-4-Allyl-2,5-diméthyl-1-pipérazinyl](phényl)méthyl}-N,N-diéthylbenzamide [French] [ACD/IUPAC Name]
4-{[(2S,5R)-4-Allyl-2,5-dimethylpiperazin-1-yl](phenyl)methyl}-N,N-diethylbenzamide
Benzamide, 4-[[(2S,5R)-2,5-dimethyl-4-(2-propen-1-yl)-1-piperazinyl]phenylmethyl]-N,N-diethyl- [ACD/Index Name]
178803-51-5 [RN]
SNC 162

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 536.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 202.4±22.5 °C
Index of Refraction: 1.549
Molar Refractivity: 129.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 6.56
ACD/KOC (pH 5.5): 41.28
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 226.07
ACD/KOC (pH 7.4): 1423.34
Polar Surface Area: 27 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 408.2±3.0 cm3

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