ChemSpider 2D Image | Ethyl 4-({3-[3-(1-azepanyl)-2-hydroxypropoxy]benzyl}amino)-1-piperidinecarboxylate | C24H39N3O4

Ethyl 4-({3-[3-(1-azepanyl)-2-hydroxypropoxy]benzyl}amino)-1-piperidinecarboxylate

  • Molecular FormulaC24H39N3O4
  • Average mass433.584 Da
  • Monoisotopic mass433.294067 Da
  • ChemSpider ID22163539

More details:

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

1-Piperidinecarboxylic acid, 4-[[[3-[3-(hexahydro-1H-azepin-1-yl)-2-hydroxypropoxy]phenyl]methyl]amino]-, ethyl ester [ACD/Index Name]
4-({3-[3-(1-Azépanyl)-2-hydroxypropoxy]benzyl}amino)-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({3-[3-(1-azepanyl)-2-hydroxypropoxy]benzyl}amino)-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-({3-[3-(1-azepanyl)-2-hydroxypropoxy]benzyl}amino)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
ETHYL 4-[({3-[3-(AZEPAN-1-YL)-2-HYDROXYPROPOXY]PHENYL}METHYL)AMINO]PIPERIDINE-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: 597.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 314.9±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 122.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.45
Polar Surface Area: 74 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 373.9±5.0 cm3

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