structure of N-Boc-cis-2,6-Diethyl-4-piperidone

N-Boc-cis-2,6-Diethyl-4-piperidone

CAS No.: 1003843-30-8
M. Wt: 255.353
M. Fa: C14H25NO3
InChI Key: PRRQDRLRMZGMRO-PHIMTYICSA-N
Appearance: Yellow Sticky Liquid

Names and Identifiers of N-Boc-cis-2,6-Diethyl-4-piperidone

CAS Number

1003843-30-8

MDL Number

MFCD12406890

IUPAC Name

tert-butyl (2S,6R)-2,6-diethyl-4-oxopiperidine-1-carboxylate

InChI

InChI=1S/C14H25NO3/c1-6-10-8-12(16)9-11(7-2)15(10)13(17)18-14(3,4)5/h10-11H,6-9H2,1-5H3/t10-,11+

InChIKey

PRRQDRLRMZGMRO-PHIMTYICSA-N

Canonical SMILES

CCC1CC(=O)CC(N1C(=O)OC(C)(C)C)CC

Isomeric SMILES

CC[C@H]1CC(=O)C[C@H](N1C(=O)OC(C)(C)C)CC

UNSPSC Code

12352100

Physical and chemical properties of N-Boc-cis-2,6-Diethyl-4-piperidone

Boiling Point

340.9±35.0 °C at 760 mmHg

Density

1.0±0.1 g/cm3

Exact Mass

255.183441

Flash Point

160.0±25.9 °C

Index of Refraction

1.460

LogP

2.43

Molecular Formula

C14H25NO3

Molecular Weight

255.353

PSA

46.61000

Storage condition

2-8°C

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of N-Boc-cis-2,6-Diethyl-4-piperidone

Pictograms

Signal Word

 Warning

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

Applications of N-Boc-cis-2,6-Diethyl-4-piperidone

N-Boc-cis-2,6-Diethyl-4-piperidone finds applications primarily in:

  • Pharmaceutical Development: As an intermediate in the synthesis of bioactive compounds.
  • Chemical Research: Used in studies exploring new synthetic routes or biological evaluations.

The Boc protecting group allows for selective reactions while maintaining stability during synthesis processes.

Interaction Studies of N-Boc-cis-2,6-Diethyl-4-piperidone

Interaction studies involving N-Boc-cis-2,6-Diethyl-4-piperidone focus on its binding affinity and efficacy against various biological targets. These studies are crucial for understanding how modifications to the piperidine structure affect biological interactions and therapeutic potential.

  • Receptor Binding Studies: Investigating how this compound interacts with neurotransmitter receptors.
  • Enzyme Inhibition Assays: Evaluating its potential as an enzyme inhibitor in metabolic pathways relevant to disease states.

Biological Activity of N-Boc-cis-2,6-Diethyl-4-piperidone

Research indicates that N-Boc-cis-2,6-Diethyl-4-piperidone exhibits biological activity that could be of interest in medicinal chemistry. Its derivatives have been studied for potential pharmacological effects, including:

  • Antidepressant Activity: Some studies suggest that piperidone derivatives may show promise in treating depression due to their interaction with neurotransmitter systems.
  • Antimicrobial Properties: Certain derivatives have demonstrated activity against various bacterial strains.

Physical sample testing spectrum (NMR) of N-Boc-cis-2,6-Diethyl-4-piperidone

Physical sample testing spectrum (NMR) of N-Boc-cis-2,6-Diethyl-4-piperidone