ChemSpider 2D Image | (3R,4R)-4-[4-(2-Fluorophenyl)-1-piperazinyl]-1-(3-methylbenzyl)-3-piperidinol | C23H30FN3O

(3R,4R)-4-[4-(2-Fluorophenyl)-1-piperazinyl]-1-(3-methylbenzyl)-3-piperidinol

  • Molecular FormulaC23H30FN3O
  • Average mass383.502 Da
  • Monoisotopic mass383.237305 Da
  • ChemSpider ID22835616
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R,4R)-4-[4-(2-Fluorophenyl)-1-piperazinyl]-1-(3-methylbenzyl)-3-piperidinol [ACD/IUPAC Name]
(3R,4R)-4-[4-(2-Fluorophényl)-1-pipérazinyl]-1-(3-méthylbenzyl)-3-pipéridinol [French] [ACD/IUPAC Name]
(3R,4R)-4-[4-(2-Fluorphenyl)-1-piperazinyl]-1-(3-methylbenzyl)-3-piperidinol [German] [ACD/IUPAC Name]
3-Piperidinol, 4-[4-(2-fluorophenyl)-1-piperazinyl]-1-[(3-methylphenyl)methyl]-, (3R,4R)- [ACD/Index Name]
(3R*,4R*)-4-[4-(2-fluorophenyl)-1-piperazinyl]-1-(3-methylbenzyl)-3-piperidinol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 522.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 269.9±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 110.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.03
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 21.32
ACD/KOC (pH 7.4): 135.36
Polar Surface Area: 30 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 319.7±3.0 cm3

Click to predict properties on the Chemicalize site






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