ChemSpider 2D Image | (R)-(2,3-Dimethoxyphenyl){1-[2-(4-fluorophenyl)(~2~H_4_)ethyl]-4-piperidinyl}methanol | C22H24D4FNO3

(R)-(2,3-Dimethoxyphenyl){1-[2-(4-fluorophenyl)(2H4)ethyl]-4-piperidinyl}methanol

  • Molecular FormulaC22H24D4FNO3
  • Average mass377.486 Da
  • Monoisotopic mass377.230438 Da
  • ChemSpider ID78362034

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(R)-(2,3-Dimethoxyphenyl){1-[2-(4-fluorophenyl)(2H4)ethyl]-4-piperidinyl}methanol [ACD/IUPAC Name]
(R)-(2,3-Diméthoxyphényl){1-[2-(4-fluorophényl)(2H4)éthyl]-4-pipéridinyl}méthanol [French] [ACD/IUPAC Name]
(R)-(2,3-Dimethoxyphenyl){1-[2-(4-fluorphenyl)(2H4)ethyl]-4-piperidinyl}methanol [German] [ACD/IUPAC Name]
4-Piperidinemethanol, α-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl-1,1,2,2-d4]-, (αR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 499.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 255.8±28.7 °C
Index of Refraction: 1.557
Molar Refractivity: 104.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.10
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 7.68
ACD/KOC (pH 7.4): 56.48
Polar Surface Area: 42 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 324.6±3.0 cm3

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