ChemSpider 2D Image | (3R)-1,3-Dibenzylpiperazine | C18H22N2

(3R)-1,3-Dibenzylpiperazine

  • Molecular FormulaC18H22N2
  • Average mass266.381 Da
  • Monoisotopic mass266.178314 Da
  • ChemSpider ID21474539
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)?-1,?3-?bis(phenylmethyl)?-?Piperazine
(3R)-1,3-Dibenzylpiperazine [ACD/IUPAC Name]
(R)-1,3-dibenzylpiperazine
169458-69-9 [RN]
MFCD13248831

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

Density: 1.1±0.1 g/cm3
Boiling Point: 391.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 149.1±14.7 °C
Index of Refraction: 1.584
Molar Refractivity: 83.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.55
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 3.71
ACD/KOC (pH 7.4): 28.89
Polar Surface Area: 15 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 250.2±3.0 cm3

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