ChemSpider 2D Image | 4-({[(1-Cyclohexyl-3-piperidinyl)methyl](3-pyridinylmethyl)amino}methyl)-2,6-dimethylphenol | C27H39N3O

4-({[(1-Cyclohexyl-3-piperidinyl)methyl](3-pyridinylmethyl)amino}methyl)-2,6-dimethylphenol

  • Molecular FormulaC27H39N3O
  • Average mass421.618 Da
  • Monoisotopic mass421.309326 Da
  • ChemSpider ID22352350

More details:

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

4-({[(1-Cyclohexyl-3-piperidinyl)methyl](3-pyridinylmethyl)amino}methyl)-2,6-dimethylphenol [ACD/IUPAC Name]
4-({[(1-Cyclohexyl-3-piperidinyl)methyl](3-pyridinylmethyl)amino}methyl)-2,6-dimethylphenol [German] [ACD/IUPAC Name]
4-({[(1-Cyclohexyl-3-pipéridinyl)méthyl](3-pyridinylméthyl)amino}méthyl)-2,6-diméthylphénol [French] [ACD/IUPAC Name]
Phenol, 4-[[[(1-cyclohexyl-3-piperidinyl)methyl](3-pyridinylmethyl)amino]methyl]-2,6-dimethyl- [ACD/Index Name]
4-{[[(1-cyclohexyl-3-piperidinyl)methyl](3-pyridinylmethyl)amino]methyl}-2,6-dimethylphenol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 552.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 288.0±28.7 °C
Index of Refraction: 1.584
Molar Refractivity: 128.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.29
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 11.04
ACD/KOC (pH 7.4): 43.07
Polar Surface Area: 40 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 384.6±3.0 cm3

Click to predict properties on the Chemicalize site


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