ChemSpider 2D Image | (3R,4R)-1-[(2-Methyl-1H-imidazol-4-yl)methyl]-4-[4-(2-phenylethyl)-1-piperazinyl]-3-piperidinol | C22H33N5O

(3R,4R)-1-[(2-Methyl-1H-imidazol-4-yl)methyl]-4-[4-(2-phenylethyl)-1-piperazinyl]-3-piperidinol

  • Molecular FormulaC22H33N5O
  • Average mass383.530 Da
  • Monoisotopic mass383.268524 Da
  • ChemSpider ID22865064

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-1-[(2-Methyl-1H-imidazol-4-yl)methyl]-4-[4-(2-phenylethyl)-1-piperazinyl]-3-piperidinol [ACD/IUPAC Name]
(3R,4R)-1-[(2-Methyl-1H-imidazol-4-yl)methyl]-4-[4-(2-phenylethyl)-1-piperazinyl]-3-piperidinol [German] [ACD/IUPAC Name]
(3R,4R)-1-[(2-Méthyl-1H-imidazol-4-yl)méthyl]-4-[4-(2-phényléthyl)-1-pipérazinyl]-3-pipéridinol [French] [ACD/IUPAC Name]
3-Piperidinol, 1-[(2-methyl-1H-imidazol-4-yl)methyl]-4-[4-(2-phenylethyl)-1-piperazinyl]-, (3R,4R)- [ACD/Index Name]
(3R*,4R*)-1-[(2-methyl-1H-imidazol-4-yl)methyl]-4-[4-(2-phenylethyl)-1-piperazinyl]-3-piperidinol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 595.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 314.1±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 112.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -3.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.75
Polar Surface Area: 59 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 321.1±3.0 cm3

Click to predict properties on the Chemicalize site


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