1-Cyclohexyl-2-(4,4-Dimethylpiperazin-4-Ium-1-Yl)-1-Phenylethanol; Methyl Sulfate
[CAS# 115-63-9]

Identification

• Name: 1-Cyclohexyl-2-(4,4-Dimethylpiperazin-4-Ium-1-Yl)-1-Phenylethanol; Methyl Sulfate
• Synonyms: 1-Cyclohexyl-2-(4,4-Dimethylpiperazin-4-Ium-1-Yl)-1-Phenyl-Ethanol; Methyl Sulfate; 1-Cyclohexyl-2-(4,4-Dimethyl-1-Piperazin-4-Iumyl)-1-Phenylethanol; Methyl Sulfate; 4-(.Beta.-Cyclohexyl-.Beta.-Hydroxyphenethyl)-1,1-Dimethylpiperazinium Methyl Sulfate
• Molecular Formula: C₂₁H₃₆N₂O₅S
• Molecular Weight: 428.59
• CAS Registry Number: 115-63-9
• EINECS: 204-097-2
• SMILES: C1=CC(=CC=C1)C(C2CCCCC2)(CN3CC[N+](CC3)(C)C)O.CO[S](=O)(=O)[O-]
• InChI: 1S/C20H33N2O.CH4O4S/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-5-6(2,3)4/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
• InChIKey: NSILVESQCSUIAJ-UHFFFAOYSA-M

References

• (1): Daniel Farran, Isabelle Parrot, Loïc Toupet, Jean Martinez and Georges Dewynter. Transannular rearrangement of activated 2,5-diketopiperazines: a key route to original scaffolds, Org. Biomol. Chem., 2008, 6, 3989.