A series of nine N,N-disubstituted piperazines were synthesized containing the structural elements of 3-trifluoromethylphenylpiperazine (3-TFMPP) in combination with each of the three regioisomeric monomethoxybenzyl-, and six regioisomeric dimethoxybenzyl substituents to yield the nine N,N-disubstituted piperazine compounds. These nine potential designer drug analogues were prepared based on common designer modifications of the known novel psychoactive substance 3-TFMPP and compared in GC–MS and GC–IR studies. The GC separation on an Rxi®-17Sil MS stationary phase showed the regioisomers of the methoxybenzyl to elute according to the position of aromatic ring substitution with the 2- isomer eluting before the 3-isomer and the 4- methoxybenzyl isomer eluting last. The six regioisomeric dimethoxybenzyl analogues eluted according to the degree of substituent crowding with the 2,3- and 2,6-isomers eluting first and the 3,5-isomer last. Numerous EI mass spectral fragment ions occur via processes initiated by one of the two nitrogen atoms of the piperazine ring. The major EI-MS fragment ions are at m/z 229 observed in all nine spectra occurs from the loss of the substituted benzyl radical and the m/z 56 cation (C₃H₆N)⁺ originates from the piperazine ring. Other characteristic fragments containing the benzyl portion of these analogues show a 30 Da variation based on the number of methoxy group substituents. The relative intensity of ions in the methoxybenzyl series as well as some unique ions in the dimethoxybenzyl series provides initial points of preliminary differentiation. These results coupled with characteristic vapor phase infrared spectra allow for the identification of each regioisomer.

合成了一系列九个N , N -二取代哌嗪，其中包含 3-三氟甲基苯基哌嗪 (3-TFMPP) 的结构元素以及三个区域异构单甲氧基苄基取代基和六个区域异构二甲氧基苄基取代基中的每一个，以产生九个N , N-二取代的哌嗪化合物。这九种潜在的设计药物类似物是基于已知的新型精神活性物质 3-TFMPP 的常见设计改进而制备的，并在 GC-MS 和 GC-IR 研究中进行了比较。Rxi®-17Sil MS 固定相上的 GC 分离显示甲氧基苄基的区域异构体根据芳环取代的位置洗脱，其中 2- 异构体在 3-异构体之前洗脱，4- 甲氧基苄基异构体最后洗脱。六种区域异构二甲氧基苄基类似物根据取代基的拥挤程度洗脱，其中 2,3- 和 2,6- 异构体先洗脱，3,5- 异构体最后洗脱。许多 EI 质谱碎片离子通过由哌嗪环的两个氮原子之一引发的过程产生。主要的 EI-MS 碎片离子位于m/z在所有九个光谱中观察到的 229 是由于取代的苄基基团的丢失而发生的，m/z 56 阳离子 (C ₃ H ₆ N) ⁺来自哌嗪环。包含这些类似物的苄基部分的其他特征片段显示出基于甲氧基取代基数量的 30 Da 变化。甲氧基苄基系列中离子的相对强度以及二甲氧基苄基系列中的一些独特离子提供了初步区分的初始点。这些结果与特征气相红外光谱相结合，可以识别每个区域异构体。