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

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

  • Molecular FormulaC27H37N3O
  • Average mass419.602 Da
  • Monoisotopic mass419.293671 Da
  • ChemSpider ID22238785

More details:

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

1-(4-Benzyl-1-piperazinyl)-3-[1-(2-phenylethyl)-3-piperidinyl]-1-propanon [German] [ACD/IUPAC Name]
1-(4-Benzyl-1-piperazinyl)-3-[1-(2-phenylethyl)-3-piperidinyl]-1-propanone [ACD/IUPAC Name]
1-(4-Benzyl-1-pipérazinyl)-3-[1-(2-phényléthyl)-3-pipéridinyl]-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 3-[1-(2-phenylethyl)-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]- [ACD/Index Name]
1-(4-BENZYLPIPERAZIN-1-YL)-3-[1-(2-PHENYLETHYL)PIPERIDIN-3-YL]PROPAN-1-ONE
1-benzyl-4-{3-[1-(2-phenylethyl)-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: 566.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 225.6±21.1 °C
Index of Refraction: 1.571
Molar Refractivity: 127.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.21
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 23.74
ACD/KOC (pH 7.4): 105.47
Polar Surface Area: 27 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 386.5±3.0 cm3

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