ChemSpider 2D Image | (3R,4S)-3-Ethyl-1-methyl-4-phenyl-4-piperidinyl propionate | C17H25NO2

(3R,4S)-3-Ethyl-1-methyl-4-phenyl-4-piperidinyl propionate

  • Molecular FormulaC17H25NO2
  • Average mass275.386 Da
  • Monoisotopic mass275.188538 Da
  • ChemSpider ID34986324

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-3-Ethyl-1-methyl-4-phenyl-4-piperidinyl propionate [ACD/IUPAC Name]
(3R,4S)-3-Ethyl-1-methyl-4-phenyl-4-piperidinylpropionat [German] [ACD/IUPAC Name]
4-Piperidinol, 3-ethyl-1-methyl-4-phenyl-, propanoate (ester), (3R,4S)- [ACD/Index Name]
Propionate de (3R,4S)-3-éthyl-1-méthyl-4-phényl-4-pipéridinyle [French] [ACD/IUPAC Name]
[(3S,4R)-3-ethyl-1-methyl-4-phenyl-4-piperidyl] propanoate
[(3S,4R)-3-ethyl-1-methyl-4-phenylpiperidin-4-yl] propanoate
[(3S,4R)-3-ethyl-1-methyl-4-phenyl-piperidin-4-yl] propanoate
207-409-5 [EINECS]
3α-Ethyl-1-methyl-4-phenyl-4α-piperidyl propionat
468-51-9 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DEA No. 9604 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 354.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.9±3.0 kJ/mol
Flash Point: 112.1±18.8 °C
Index of Refraction: 1.532
Molar Refractivity: 81.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 2.14
ACD/KOC (pH 5.5): 18.46
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 74.24
ACD/KOC (pH 7.4): 640.31
Polar Surface Area: 30 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 262.4±5.0 cm3

Click to predict properties on the Chemicalize site


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