CAS 801228-18-2

2,3-Dimethyl-α-(1-piperazinylmethyl)-1H-indole-1-ethanol

Description:

2,3-Dimethyl-α-(1-piperazinylmethyl)-1H-indole-1-ethanol, identified by its CAS number 801228-18-2, is a chemical compound that belongs to the indole class of compounds, which are characterized by a bicyclic structure containing a fused benzene and pyrrole ring. This particular compound features a dimethyl substitution at the 2 and 3 positions of the indole ring, which can influence its biological activity and solubility. The presence of a piperazinylmethyl group enhances its potential for interaction with biological targets, particularly in pharmacological contexts. The hydroxyl group (-OH) at the 1-position of the indole contributes to its polarity, affecting its solubility in various solvents and its ability to form hydrogen bonds. Such structural characteristics suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting neurological or psychiatric disorders. However, specific biological activity, toxicity, and pharmacokinetic properties would require further investigation through empirical studies.

Formula: C₁₇H₂₅N₃O

InChI: InChI=1S/C17H25N3O/c1-13-14(2)20(17-6-4-3-5-16(13)17)12-15(21)11-19-9-7-18-8-10-19/h3-6,15,18,21H,7-12H2,1-2H3

InChI key: InChIKey=WYHXAZHFQHMALD-UHFFFAOYSA-N

SMILES: C(C(CN1CCNCC1)O)N2C=3C(C(C)=C2C)=CC=CC3

Synonyms:

• 1H-Indole-1-ethanol, 2,3-dimethyl-α-(1-piperazinylmethyl)-
• 1-(2,3-Dimethylindol-1-yl)-3-piperazin-1-ylpropan-2-ol
• 2,3-Dimethyl-α-(1-piperazinylmethyl)-1H-indole-1-ethanol
• 1-(2,3-Dimethyl-indol-1-yl)-3-piperazin-1-yl-propan-2-ol