structure of 1-(Tert-butoxycarbonyl)-4-(3-chlorophenyl)piperidine-4-carboxylic acid

1-(Tert-butoxycarbonyl)-4-(3-chlorophenyl)piperidine-4-carboxylic acid

CAS No.: 1001124-90-8
M. Wt: 339.81400
M. Fa: C17H22ClNO4
InChI Key: CWHKDJGMAAWEPY-UHFFFAOYSA-N
Appearance: white solid

Names and Identifiers of 1001124-90-8

CAS Number

1001124-90-8

MDL Number

MFCD10574752

IUPAC Name

4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

InChI

InChI=1S/C17H22ClNO4/c1-16(2,3)23-15(22)19-9-7-17(8-10-19,14(20)21)12-5-4-6-13(18)11-12/h4-6,11H,7-10H2,1-3H3,(H,20,21)

InChIKey

CWHKDJGMAAWEPY-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC(=CC=C2)Cl)C(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 1001124-90-8

Exact Mass

339.12400

LogP

3.63120

Molecular Formula

C17H22ClNO4

Molecular Weight

339.81400

PSA

66.84000

Safety Information of 1001124-90-8

Pictograms

Signal Word

 Warning

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

Applications of 1001124-90-8

1-(Tert-butoxycarbonyl)-4-(3-chlorophenyl)piperidine-4-carboxylic acid has potential applications in:

  • Pharmaceutical Development: As a building block in the synthesis of novel therapeutic agents.
  • Chemical Research: Used in studies related to piperidine derivatives and their biological activities.
  • Synthetic Organic Chemistry: As an intermediate in various organic synthesis pathways.

Interaction Studies of 1001124-90-8

Interaction studies involving this compound often focus on its reactivity with various biological targets. Research may include:

  • Binding Affinity Studies: Assessing how well the compound interacts with specific receptors or enzymes.
  • Metabolic Stability Tests: Evaluating how the compound is metabolized in biological systems, which is crucial for drug development.

Biological Activity of 1001124-90-8

While specific biological activity data for 1-(tert-butoxycarbonyl)-4-(3-chlorophenyl)piperidine-4-carboxylic acid is limited, compounds with similar piperidine structures often exhibit significant pharmacological properties. Piperidine derivatives are known for their roles in medicinal chemistry, particularly as potential analgesics, anti-inflammatory agents, and in the treatment of neurological disorders. The chlorine substitution on the phenyl ring may enhance the biological activity by influencing receptor interactions.

Retrosynthesis analysis of 1001124-90-8

  • Route#1

    Cas:24424-99-5
    Cas:1001124-90-8