structure of Tert-butyl 3-(dimethylamino)piperidine-1-carboxylate

Tert-butyl 3-(dimethylamino)piperidine-1-carboxylate

CAS No.: 1000576-83-9
M. Wt: 228.331
M. Fa: C12H24N2O2
InChI Key: HFIAGQNFPTWBQZ-UHFFFAOYSA-N

Names and Identifiers of 1000576-83-9

CAS Number

1000576-83-9

MDL Number

MFCD09878592

IUPAC Name

tert-butyl 3-(dimethylamino)piperidine-1-carboxylate

InChI

InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-6-7-10(9-14)13(4)5/h10H,6-9H2,1-5H3

InChIKey

HFIAGQNFPTWBQZ-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)N1CCCC(C1)N(C)C

UNSPSC Code

12352100

Physical and chemical properties of 1000576-83-9

Boiling Point

295.4±33.0 °C at 760 mmHg

Density

1.0±0.1 g/cm3

Exact Mass

228.183777

Flash Point

132.5±25.4 °C

H Bond Acceptors

2

H Bond Donors

0

Index of Refraction

1.490

LogP

1.27

Molecular Formula

C12H24N2O2

Molecular Weight

228.331

PSA

32.78000

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 1000576-83-9

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Interaction Studies of 1000576-83-9

Studies have indicated that tert-butyl 3-(dimethylamino)piperidine-1-carboxylate interacts with various biological targets. Interaction studies often focus on:

  • Receptor Binding Affinity: Evaluating how well the compound binds to specific receptors.
  • Enzyme Inhibition: Understanding its role in inhibiting enzymes involved in metabolic pathways.

These studies are crucial for assessing the compound's therapeutic potential.

Biological Activity of 1000576-83-9

Tert-butyl 3-(dimethylamino)piperidine-1-carboxylate has shown potential biological activity, particularly as a pharmacological agent. It is often studied for its effects on:

  • Neurotransmitter Systems: Its dimethylamino group suggests potential interactions with neurotransmitter receptors.
  • Analgesic Properties: Some derivatives have been noted for their analgesic effects in preclinical studies.

Retrosynthesis analysis of 1000576-83-9

  • Route#1

    Cas:188111-79-7
    Cas:1000576-83-9
  • Route#2

    Cas:98977-36-7
    Cas:1000576-83-9