ChemSpider 2D Image | [1-(3,4-Dichlorobenzyl)-4-piperidinyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone | C22H24Cl2N2O

[1-(3,4-Dichlorobenzyl)-4-piperidinyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone

  • Molecular FormulaC22H24Cl2N2O
  • Average mass403.345 Da
  • Monoisotopic mass402.126556 Da
  • ChemSpider ID28349717

More details:

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

[1-(3,4-Dichlorbenzyl)-4-piperidinyl](3,4-dihydro-2(1H)-isochinolinyl)methanon [German] [ACD/IUPAC Name]
[1-(3,4-Dichlorobenzyl)-4-pipéridinyl](3,4-dihydro-2(1H)-isoquinoléinyl)méthanone [French] [ACD/IUPAC Name]
[1-(3,4-Dichlorobenzyl)-4-piperidinyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone [ACD/IUPAC Name]
Methanone, [1-[(3,4-dichlorophenyl)methyl]-4-piperidinyl](3,4-dihydro-2(1H)-isoquinolinyl)- [ACD/Index Name]
[1-(3,4-Dichloro-benzyl)-piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)-methanone
[1-(3,4-dichlorobenzyl)piperidin-4-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
2-{[1-(3,4-dichlorobenzyl)-4-piperidinyl]carbonyl}-1,2,3,4-tetrahydroisoquinoline

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

Density: 1.3±0.1 g/cm3
Boiling Point: 555.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.6±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 110.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 101.34
ACD/KOC (pH 5.5): 345.41
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2465.77
ACD/KOC (pH 7.4): 8404.50
Polar Surface Area: 24 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 314.3±3.0 cm3

Click to predict properties on the Chemicalize site


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