ChemSpider 2D Image | (1R,3S)-2,2-Dimethyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}cyclopropanecarboxylic acid | C16H21N3O3

(1R,3S)-2,2-Dimethyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}cyclopropanecarboxylic acid

  • Molecular FormulaC16H21N3O3
  • Average mass303.356 Da
  • Monoisotopic mass303.158295 Da
  • ChemSpider ID57655780

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-2,2-Dimethyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}cyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1R,3S)-2,2-Dimethyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,3S)-2,2-diméthyl-3-{[4-(2-pyridinyl)-1-pipérazinyl]carbonyl}cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-[[4-(2-pyridinyl)-1-piperazinyl]carbonyl]-, (1R,3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 538.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 279.6±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 79.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 74 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 237.2±3.0 cm3

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