ChemSpider 2D Image | Methyl 1-{2-hydroxy-3-[3-({[(1-hydroxycyclohexyl)methyl]amino}methyl)phenoxy]propyl}-4-piperidinecarboxylate | C24H38N2O5

Methyl 1-{2-hydroxy-3-[3-({[(1-hydroxycyclohexyl)methyl]amino}methyl)phenoxy]propyl}-4-piperidinecarboxylate

  • Molecular FormulaC24H38N2O5
  • Average mass434.569 Da
  • Monoisotopic mass434.278076 Da
  • ChemSpider ID22211622

More details:

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

1-{2-Hydroxy-3-[3-({[(1-hydroxycyclohexyl)méthyl]amino}méthyl)phénoxy]propyl}-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[2-hydroxy-3-[3-[[[(1-hydroxycyclohexyl)methyl]amino]methyl]phenoxy]propyl]-, methyl ester [ACD/Index Name]
Methyl 1-{2-hydroxy-3-[3-({[(1-hydroxycyclohexyl)methyl]amino}methyl)phenoxy]propyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-{2-hydroxy-3-[3-({[(1-hydroxycyclohexyl)methyl]amino}methyl)phenoxy]propyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 597.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.2±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 119.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): -1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.87
Polar Surface Area: 91 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 375.0±3.0 cm3

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