ChemSpider 2D Image | (3R)-1-[4,4-Bis(3-methyl-2-thienyl)-3-buten-1-yl]-3-carboxypiperidinium | C20H26NO2S2

(3R)-1-[4,4-Bis(3-methyl-2-thienyl)-3-buten-1-yl]-3-carboxypiperidinium

  • Molecular FormulaC20H26NO2S2
  • Average mass376.555 Da
  • Monoisotopic mass376.139954 Da
  • ChemSpider ID21258630

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1-[4,4-Bis(3-methyl-2-thienyl)-3-buten-1-yl]-3-carboxypiperidinium [ACD/IUPAC Name]
(3R)-1-[4,4-Bis(3-methyl-2-thienyl)-3-buten-1-yl]-3-carboxypiperidinium [German] [ACD/IUPAC Name]
(3R)-1-[4,4-Bis(3-méthyl-2-thiényl)-3-butén-1-yl]-3-carboxypipéridinium [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl]-, conjugate acid, (3R)- [ACD/Index Name]
(3R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl]-3-carboxypiperidinium
tiagabine(1+)
  • Miscellaneous

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

Density:
Boiling Point: 568.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.3±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 10.74
ACD/KOC (pH 5.5): 37.05
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 10.74
ACD/KOC (pH 7.4): 37.05
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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