ChemSpider 2D Image | (3R,4R)-4-(4-Methyl-1-piperazinyl)-1-(2,4,5-trimethoxybenzyl)-3-piperidinol | C20H33N3O4

(3R,4R)-4-(4-Methyl-1-piperazinyl)-1-(2,4,5-trimethoxybenzyl)-3-piperidinol

  • Molecular FormulaC20H33N3O4
  • Average mass379.494 Da
  • Monoisotopic mass379.247101 Da
  • ChemSpider ID23038416
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R,4R)-4-(4-Methyl-1-piperazinyl)-1-(2,4,5-trimethoxybenzyl)-3-piperidinol [ACD/IUPAC Name]
(3R,4R)-4-(4-Methyl-1-piperazinyl)-1-(2,4,5-trimethoxybenzyl)-3-piperidinol [German] [ACD/IUPAC Name]
(3R,4R)-4-(4-Méthyl-1-pipérazinyl)-1-(2,4,5-triméthoxybenzyl)-3-pipéridinol [French] [ACD/IUPAC Name]
3-Piperidinol, 4-(4-methyl-1-piperazinyl)-1-[(2,4,5-trimethoxyphenyl)methyl]-, (3R,4R)- [ACD/Index Name]
(3R*,4R*)-4-(4-methyl-1-piperazinyl)-1-(2,4,5-trimethoxybenzyl)-3-piperidinol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 502.7±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: 257.8±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 105.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -3.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.16
Polar Surface Area: 58 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 327.0±3.0 cm3

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