ChemSpider 2D Image | 4-[1-Benzyl-4-(4-chlorobenzyl)-4-piperidinyl]-2-hydroxy-4-oxo-2-butenoic acid | C23H24ClNO4

4-[1-Benzyl-4-(4-chlorobenzyl)-4-piperidinyl]-2-hydroxy-4-oxo-2-butenoic acid

  • Molecular FormulaC23H24ClNO4
  • Average mass413.894 Da
  • Monoisotopic mass413.139374 Da
  • ChemSpider ID35292645

More details:

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

2-Butenoic acid, 4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)-4-piperidinyl]-2-hydroxy-4-oxo- [ACD/Index Name]
4-[1-Benzyl-4-(4-chlorbenzyl)-4-piperidinyl]-2-hydroxy-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
4-[1-Benzyl-4-(4-chlorobenzyl)-4-piperidinyl]-2-hydroxy-4-oxo-2-butenoic acid [ACD/IUPAC Name]
Acide 4-[1-benzyl-4-(4-chlorobenzyl)-4-pipéridinyl]-2-hydroxy-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]
177592-42-6 [RN]
4-{1-BENZYL-4-[(4-CHLOROPHENYL)METHYL]PIPERIDIN-4-YL}-2-HYDROXY-4-OXOBUT-2-ENOIC ACID

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

Density: 1.3±0.1 g/cm3
Boiling Point: 591.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 311.2±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 9.94
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.36
Polar Surface Area: 78 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 314.3±3.0 cm3

Click to predict properties on the Chemicalize site


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