ChemSpider 2D Image | Ethyl 1-[4-(3-hydroxy-3-methyl-1-butyn-1-yl)benzyl]-4-(2-phenylethyl)-4-piperidinecarboxylate | C28H35NO3

Ethyl 1-[4-(3-hydroxy-3-methyl-1-butyn-1-yl)benzyl]-4-(2-phenylethyl)-4-piperidinecarboxylate

  • Molecular FormulaC28H35NO3
  • Average mass433.582 Da
  • Monoisotopic mass433.261688 Da
  • ChemSpider ID22221875

More details:

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

1-[4-(3-Hydroxy-3-méthyl-1-butyn-1-yl)benzyl]-4-(2-phényléthyl)-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[[4-(3-hydroxy-3-methyl-1-butyn-1-yl)phenyl]methyl]-4-(2-phenylethyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-[4-(3-hydroxy-3-methyl-1-butyn-1-yl)benzyl]-4-(2-phenylethyl)-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-[4-(3-hydroxy-3-methyl-1-butin-1-yl)benzyl]-4-(2-phenylethyl)-4-piperidincarboxylat [German] [ACD/IUPAC Name]
ETHYL 1-{[4-(3-HYDROXY-3-METHYLBUT-1-YN-1-YL)PHENYL]METHYL}-4-(2-PHENYLETHYL)PIPERIDINE-4-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 544.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 283.0±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 128.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 54.75
ACD/KOC (pH 5.5): 144.15
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 2668.08
ACD/KOC (pH 7.4): 7024.56
Polar Surface Area: 50 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 382.1±5.0 cm3

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