structure of (R)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride

(R)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride

CAS No.: 1000853-53-1
M. Wt: 236.739
M. Fa: C10H21ClN2O2
InChI Key: CAKKNXNGNSFBHG-DDWIOCJRSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1000853-53-1

CAS Number

1000853-53-1

MDL Number

MFCD11101216

IUPAC Name

tert-butyl (2R)-2-methylpiperazine-1-carboxylate;hydrochloride

InChI

InChI=1S/C10H20N2O2.ClH/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4;/h8,11H,5-7H2,1-4H3;1H/t8-;/m1./s1

InChIKey

CAKKNXNGNSFBHG-DDWIOCJRSA-N

Canonical SMILES

CC1CNCCN1C(=O)OC(C)(C)C.Cl

Isomeric SMILES

C[C@@H]1CNCCN1C(=O)OC(C)(C)C.Cl

UNSPSC Code

12352100

Physical and chemical properties of 1000853-53-1

Exact Mass

236.129150

LogP

2.28390

Molecular Formula

C10H21ClN2O2

Molecular Weight

236.739

PSA

41.57000

Storage condition

under inert gas (nitrogen or Argon) at 2-8°C

Safety Information of 1000853-53-1

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000853-53-1

(R)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride has various applications in:

  • Medicinal Chemistry: As a building block for synthesizing pharmaceutical compounds.
  • Biochemical Research: In studies investigating receptor interactions and enzyme activities.
  • Chemical Synthesis: As an intermediate in organic synthesis processes due to its reactive functional groups.

Interaction Studies of 1000853-53-1

Interaction studies involving (R)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride focus on its binding affinity to various receptors and enzymes. These studies help elucidate its pharmacological potential and mechanisms of action. Techniques such as radiolabeled ligand binding assays and molecular docking simulations are commonly employed to assess these interactions.

Biological Activity of 1000853-53-1

The biological activity of (R)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride is primarily attributed to its interaction with specific molecular targets such as receptors and enzymes. The piperazine ring enables the formation of hydrogen bonds and other interactions that can modulate receptor activity. Depending on the target, this compound may function as an agonist or antagonist, demonstrating potential in pharmacological research.

Physical sample testing spectrum (NMR) of 1000853-53-1

Physical sample testing spectrum (NMR) of 1000853-53-1