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

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

  • Molecular FormulaC26H39N5O
  • Average mass437.621 Da
  • Monoisotopic mass437.315460 Da
  • ChemSpider ID22170135

More details:

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

1-(4-Benzyl-1-piperazinyl)-3-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}-1-propanon [German] [ACD/IUPAC Name]
1-(4-Benzyl-1-piperazinyl)-3-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}-1-propanone [ACD/IUPAC Name]
1-(4-Benzyl-1-pipérazinyl)-3-{1-[(1-éthyl-3-méthyl-1H-pyrazol-4-yl)méthyl]-3-pipéridinyl}-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 3-[1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]- [ACD/Index Name]
1-(4-BENZYLPIPERAZIN-1-YL)-3-{1-[(1-ETHYL-3-METHYL-1H-PYRAZOL-4-YL)METHYL]PIPERIDIN-3-YL}PROPAN-1-ONE
1-(4-BENZYLPIPERAZIN-1-YL)-3-{1-[(1-ETHYL-3-METHYLPYRAZOL-4-YL)METHYL]PIPERIDIN-3-YL}PROPAN-1-ONE
1-benzyl-4-(3-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}propanoyl)piperazine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 588.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.7±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 131.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 8.94
ACD/KOC (pH 7.4): 65.28
Polar Surface Area: 45 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 380.2±7.0 cm3

Click to predict properties on the Chemicalize site


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