ChemSpider 2D Image | Methyl 4-[4-({4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl}methyl)-1-piperidinyl]butanoate | C23H35ClN2O4

Methyl 4-[4-({4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl}methyl)-1-piperidinyl]butanoate

  • Molecular FormulaC23H35ClN2O4
  • Average mass438.988 Da
  • Monoisotopic mass438.228546 Da
  • ChemSpider ID23324799

More details:

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

1-Piperidinebutanoic acid, 4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-, methyl ester [ACD/Index Name]
4-[4-({4-[3-Chloro-4-(hydroxyméthyl)phénoxy]-1-pipéridinyl}méthyl)-1-pipéridinyl]butanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-[4-({4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl}methyl)-1-piperidinyl]butanoate [ACD/IUPAC Name]
methyl 4-[4-({4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl}methyl)piperidin-1-yl]butanoate
Methyl-4-[4-({4-[3-chlor-4-(hydroxymethyl)phenoxy]-1-piperidinyl}methyl)-1-piperidinyl]butanoat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL402450/
methyl 4-(4-((4-(3-chloro-4-(hydroxymethyl)phenoxy)piperidin-1-yl)methyl)piperidin-1-yl)butanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 565.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 295.9±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 118.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.51
Polar Surface Area: 62 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 374.5±3.0 cm3

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