ChemSpider 2D Image | Ethyl 4-({6-[4-(3-hydroxy-3-methyl-1-butyn-1-yl)benzyl]-6-azaspiro[2.5]oct-1-yl}carbonyl)-1-piperazinecarboxylate | C27H37N3O4

Ethyl 4-({6-[4-(3-hydroxy-3-methyl-1-butyn-1-yl)benzyl]-6-azaspiro[2.5]oct-1-yl}carbonyl)-1-piperazinecarboxylate

  • Molecular FormulaC27H37N3O4
  • Average mass467.600 Da
  • Monoisotopic mass467.278412 Da
  • ChemSpider ID22120628

More details:

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

1-Piperazinecarboxylic acid, 4-[[6-[[4-(3-hydroxy-3-methyl-1-butyn-1-yl)phenyl]methyl]-6-azaspiro[2.5]oct-1-yl]carbonyl]-, ethyl ester [ACD/Index Name]
4-({6-[4-(3-Hydroxy-3-méthyl-1-butyn-1-yl)benzyl]-6-azaspiro[2.5]oct-1-yl}carbonyl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({6-[4-(3-hydroxy-3-methyl-1-butyn-1-yl)benzyl]-6-azaspiro[2.5]oct-1-yl}carbonyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-({6-[4-(3-hydroxy-3-methyl-1-butin-1-yl)benzyl]-6-azaspiro[2.5]oct-1-yl}carbonyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ETHYL 4-(6-{[4-(3-HYDROXY-3-METHYLBUT-1-YN-1-YL)PHENYL]METHYL}-6-AZASPIRO[2.5]OCTANE-1-CARBONYL)PIPERAZINE-1-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 630.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 335.2±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 131.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.64
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 4.34
ACD/KOC (pH 7.4): 33.48
Polar Surface Area: 73 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 376.5±5.0 cm3

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