ChemSpider 2D Image | (2S)-1-[(1-Ethynylcyclohexyl)oxy]-3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-propanol | C22H32N2O3

(2S)-1-[(1-Ethynylcyclohexyl)oxy]-3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-propanol

  • Molecular FormulaC22H32N2O3
  • Average mass372.501 Da
  • Monoisotopic mass372.241302 Da
  • ChemSpider ID34991967

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-[(1-Ethinylcyclohexyl)oxy]-3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-propanol [German] [ACD/IUPAC Name]
(2S)-1-[(1-Ethynylcyclohexyl)oxy]-3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-propanol [ACD/IUPAC Name]
(2S)-1-[(1-Éthynylcyclohexyl)oxy]-3-[4-(2-méthoxyphényl)-1-pipérazinyl]-2-propanol [French] [ACD/IUPAC Name]
1-Piperazineethanol, α-[[(1-ethynylcyclohexyl)oxy]methyl]-4-(2-methoxyphenyl)-, (αS)- [ACD/Index Name]
260-340-2 [EINECS]
56693-13-1 [RN]
mociprazine [INN]
UNII-L3L0CM26R6

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

Density: 1.2±0.1 g/cm3
Boiling Point: 522.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 269.7±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 107.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 4.43
ACD/KOC (pH 5.5): 33.38
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 128.91
ACD/KOC (pH 7.4): 971.75
Polar Surface Area: 45 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 322.0±5.0 cm3

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