ChemSpider 2D Image | 1-(4-Benzyl-1-piperazinyl)-3-{1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-3-piperidinyl}-1-propanone | C26H39N5O

1-(4-Benzyl-1-piperazinyl)-3-{1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-3-piperidinyl}-1-propanone

  • Molecular FormulaC26H39N5O
  • Average mass437.621 Da
  • Monoisotopic mass437.315460 Da
  • ChemSpider ID22212981

More details:

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

1-(4-Benzyl-1-piperazinyl)-3-{1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-3-piperidinyl}-1-propanon [German] [ACD/IUPAC Name]
1-(4-Benzyl-1-piperazinyl)-3-{1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-3-piperidinyl}-1-propanone [ACD/IUPAC Name]
1-(4-Benzyl-1-pipérazinyl)-3-{1-[(2-éthyl-4-méthyl-1H-imidazol-5-yl)méthyl]-3-pipéridinyl}-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 3-[1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]- [ACD/Index Name]
1-(4-BENZYLPIPERAZIN-1-YL)-3-{1-[(2-ETHYL-4-METHYL-1H-IMIDAZOL-5-YL)METHYL]PIPERIDIN-3-YL}PROPAN-1-ONE
1-(4-BENZYLPIPERAZIN-1-YL)-3-{1-[(2-ETHYL-5-METHYL-3H-IMIDAZOL-4-YL)METHYL]PIPERIDIN-3-YL}PROPAN-1-ONE
1-benzyl-4-(3-{1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-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: 643.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.8±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 129.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 1.27
ACD/KOC (pH 7.4): 10.65
Polar Surface Area: 55 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 387.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement