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ChemSpider 2D Image | Methyl (2R)-[(2R)-1-benzyl-2-piperidinyl](phenyl)acetate | C21H25NO2

Methyl (2R)-[(2R)-1-benzyl-2-piperidinyl](phenyl)acetate

  • Molecular FormulaC21H25NO2
  • Average mass323.429 Da
  • Monoisotopic mass323.188538 Da
  • ChemSpider ID26349429
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R)-[(2R)-1-Benzyl-2-pipéridinyl](phényl)acétate de méthyle [French] [ACD/IUPAC Name]
2-Piperidineacetic acid, α-phenyl-1-(phenylmethyl)-, methyl ester, (αR,2R)- [ACD/Index Name]
Methyl (2R)-[(2R)-1-benzyl-2-piperidinyl](phenyl)acetate [ACD/IUPAC Name]
Methyl-(2R)-[(2R)-1-benzyl-2-piperidinyl](phenyl)acetat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 423.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 133.0±11.0 °C
Index of Refraction: 1.573
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 2.77
ACD/KOC (pH 5.5): 11.07
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 89.71
ACD/KOC (pH 7.4): 358.55
Polar Surface Area: 30 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 291.4±3.0 cm3

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