ChemSpider 2D Image | Ethyl 1-[4-({4-[4-(diphenylmethyl)-1-piperazinyl]phenyl}amino)-4-oxobutanoyl]-4-piperidinecarboxylate | C35H42N4O4

Ethyl 1-[4-({4-[4-(diphenylmethyl)-1-piperazinyl]phenyl}amino)-4-oxobutanoyl]-4-piperidinecarboxylate

  • Molecular FormulaC35H42N4O4
  • Average mass582.732 Da
  • Monoisotopic mass582.320618 Da
  • ChemSpider ID3122822

More details:

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

1-[4-({4-[4-(Diphénylméthyl)-1-pipérazinyl]phényl}amino)-4-oxobutanoyl]-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[4-[[4-[4-(diphenylmethyl)-1-piperazinyl]phenyl]amino]-1,4-dioxobutyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[4-({4-[4-(diphenylmethyl)-1-piperazinyl]phenyl}amino)-4-oxobutanoyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-[4-({4-[4-(diphenylmethyl)-1-piperazinyl]phenyl}amino)-4-oxobutanoyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
ethyl 1-[4-({4-[4-(diphenylmethyl)piperazin-1-yl]phenyl}amino)-4-oxobutanoyl]piperidine-4-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: 768.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 418.5±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 167.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 54.54
ACD/KOC (pH 5.5): 242.74
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1042.41
ACD/KOC (pH 7.4): 4639.73
Polar Surface Area: 82 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 482.3±3.0 cm3

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