ChemSpider 2D Image | 1-Azepanyl[1-(2-hydroxy-4,5-dimethylbenzyl)-4-piperidinyl]methanone | C21H32N2O2

1-Azepanyl[1-(2-hydroxy-4,5-dimethylbenzyl)-4-piperidinyl]methanone

  • Molecular FormulaC21H32N2O2
  • Average mass344.491 Da
  • Monoisotopic mass344.246368 Da
  • ChemSpider ID26167411

More details:

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

(Hexahydro-1H-azepin-1-yl)[1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-4-piperidinyl]methanone
1240685-27-1 [RN]
1-Azepanyl[1-(2-hydroxy-4,5-dimethylbenzyl)-4-piperidinyl]methanon [German] [ACD/IUPAC Name]
1-Azepanyl[1-(2-hydroxy-4,5-dimethylbenzyl)-4-piperidinyl]methanone [ACD/IUPAC Name]
1-Azépanyl[1-(2-hydroxy-4,5-diméthylbenzyl)-4-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, (hexahydro-1H-azepin-1-yl)[1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-4-piperidinyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 517.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 266.9±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 101.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 7.77
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 50.43
ACD/KOC (pH 7.4): 389.35
Polar Surface Area: 44 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 309.4±3.0 cm3

Click to predict properties on the Chemicalize site


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