ChemSpider 2D Image | 1-(4-Benzyl-1-piperazinyl)-3-[1-(2-methylbenzyl)-3-piperidinyl]-1-propanone | C27H37N3O

1-(4-Benzyl-1-piperazinyl)-3-[1-(2-methylbenzyl)-3-piperidinyl]-1-propanone

  • Molecular FormulaC27H37N3O
  • Average mass419.602 Da
  • Monoisotopic mass419.293671 Da
  • ChemSpider ID23051721

More details:

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

1-(4-Benzyl-1-piperazinyl)-3-[1-(2-methylbenzyl)-3-piperidinyl]-1-propanon [German] [ACD/IUPAC Name]
1-(4-Benzyl-1-piperazinyl)-3-[1-(2-methylbenzyl)-3-piperidinyl]-1-propanone [ACD/IUPAC Name]
1-(4-Benzyl-1-pipérazinyl)-3-[1-(2-méthylbenzyl)-3-pipéridinyl]-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 3-[1-[(2-methylphenyl)methyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]- [ACD/Index Name]
1-(4-BENZYLPIPERAZIN-1-YL)-3-{1-[(2-METHYLPHENYL)METHYL]PIPERIDIN-3-YL}PROPAN-1-ONE
1-benzyl-4-{3-[1-(2-methylbenzyl)-3-piperidinyl]propanoyl}piperazine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 564.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 224.0±22.5 °C
Index of Refraction: 1.579
Molar Refractivity: 127.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.83
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 19.89
ACD/KOC (pH 7.4): 96.00
Polar Surface Area: 27 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 382.8±3.0 cm3

Click to predict properties on the Chemicalize site


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