ChemSpider 2D Image | Ethyl 1-({1-[(2-methylbenzyl)sulfonyl]-4-piperidinyl}carbonyl)-4-piperidinecarboxylate | C22H32N2O5S

Ethyl 1-({1-[(2-methylbenzyl)sulfonyl]-4-piperidinyl}carbonyl)-4-piperidinecarboxylate

  • Molecular FormulaC22H32N2O5S
  • Average mass436.565 Da
  • Monoisotopic mass436.203186 Da
  • ChemSpider ID21875944

More details:

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

1-({1-[(2-Méthylbenzyl)sulfonyl]-4-pipéridinyl}carbonyl)-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[[1-[[(2-methylphenyl)methyl]sulfonyl]-4-piperidinyl]carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-({1-[(2-methylbenzyl)sulfonyl]-4-piperidinyl}carbonyl)-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-({1-[(2-methylbenzyl)sulfonyl]-4-piperidinyl}carbonyl)-4-piperidincarboxylat [German] [ACD/IUPAC Name]
1-(1-o-Tolylmethanesulfonyl-piperidine-4-carbonyl)-piperidine-4-carboxylic acid ethyl ester
ethyl 1-({1-[(2-methylbenzyl)sulfonyl]piperidin-4-yl}carbonyl)piperidine-4-carboxylate
ETHYL 1-{1-[(2-METHYLPHENYL)METHANESULFONYL]PIPERIDINE-4-CARBONYL}PIPERIDINE-4-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.4±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 115.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 109.78
ACD/KOC (pH 5.5): 1005.14
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 109.78
ACD/KOC (pH 7.4): 1005.14
Polar Surface Area: 92 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 346.6±5.0 cm3

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