ChemSpider 2D Image | (3S)-3-[2-Hydroxy(diphenyl)acetoxy]-1,1-dimethylpiperidinium | C21H26NO3

(3S)-3-[2-Hydroxy(diphenyl)acetoxy]-1,1-dimethylpiperidinium

  • Molecular FormulaC21H26NO3
  • Average mass340.435 Da
  • Monoisotopic mass340.190735 Da
  • ChemSpider ID34221034

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(2-Hydroxy-2,2-diphénylacétoxy)-1,1-diméthylpipéridinium [French] [ACD/IUPAC Name]
(3S)-3-[2-Hydroxy(diphenyl)acetoxy]-1,1-dimethylpiperidinium [German] [ACD/IUPAC Name]
(3S)-3-[2-Hydroxy(diphenyl)acetoxy]-1,1-dimethylpiperidinium [ACD/IUPAC Name]
Piperidinium, 3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1,1-dimethyl-, (3S)- [ACD/Index Name]
[(3R)-1,1-dimethylpiperidin-1-ium-3-yl] 2-hydroxy-2,2-di(phenyl)acetate
[(3R)-1,1-dimethylpiperidin-1-ium-3-yl] 2-hydroxy-2,2-di(phenyl)ethanoate
25990-43-6 [RN]
2-hydroxy-2,2-di(phenyl)acetic acid [(3R)-1,1-dimethyl-3-piperidin-1-iumyl] ester
2-hydroxy-2,2-di(phenyl)acetic acid [(3R)-1,1-dimethylpiperidin-1-ium-3-yl] ester
CAS-76-90-4
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCGC00016314-01 [DBID]
ZINC00057402 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.66
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.67
Polar Surface Area: 47 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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