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CAS 7681-80-3

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Piperidinium, 1,1-dimethyl-4-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, methyl sulfate (1:1)

Description:
Piperidinium, 1,1-dimethyl-4-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, methyl sulfate (1:1) is a quaternary ammonium compound characterized by its piperidine ring structure, which is a six-membered nitrogen-containing heterocycle. This compound features a dimethyl substitution at the nitrogen atom, enhancing its solubility in polar solvents. The presence of the methyl sulfate group contributes to its ionic nature, making it a potential surfactant or phase transfer catalyst. The phenyl and alkyl substituents on the piperidine ring provide hydrophobic characteristics, which can influence its interaction with biological membranes and its overall biological activity. Additionally, the compound may exhibit antimicrobial or antifungal properties due to its quaternary ammonium structure. Its applications could extend to various fields, including pharmaceuticals, where it may serve as an intermediate or active ingredient. Safety and handling precautions are essential, as quaternary ammonium compounds can be irritants and may pose environmental risks.
Formula:C19H30NO2·CH3O4S
InChI:InChI=1S/C19H30NO2.CH4O4S/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17;1-5-6(2,3)4/h6-10,15,17-18H,5,11-14H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChI key:InChIKey=YGURFDXYQNOJCS-UHFFFAOYSA-M
SMILES:C(C(OC1CC[N+](C)(C)CC1)=O)(C(CC)C)C2=CC=CC=C2.S(OC)(=O)(=O)[O-]
Synonyms:
  • Pentapiperide methylsulfate
  • Piperidinium, 1,1-dimethyl-4-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, methyl sulfate (1:1)
  • 4-Hydroxy-1,1-dimethylpiperidinium methyl sulfate 3-methyl-2-phenylvalerate
  • Piperidinium, 4-hydroxy-1,1-dimethyl-, methyl sulfate (salt), 3-methyl-2-phenylvalerate
  • Piperidinium, 1,1-dimethyl-4-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, methyl sulfate
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