structure of 1-(3-Chloropyrazin-2-yl)piperidin-4-ol

1-(3-Chloropyrazin-2-yl)piperidin-4-ol

CAS No.: 1248111-06-9
M. Wt: 213.66
M. Fa: C9H12ClN3O
InChI Key: SOASMJHVAOIYFU-UHFFFAOYSA-N

Names and Identifiers of 1-(3-Chloropyrazin-2-yl)piperidin-4-ol

CAS Number

1248111-06-9

MDL Number

MFCD16079924

IUPAC Name

1-(3-chloropyrazin-2-yl)piperidin-4-ol

InChI

InChI=1S/C9H12ClN3O/c10-8-9(12-4-3-11-8)13-5-1-7(14)2-6-13/h3-4,7,14H,1-2,5-6H2

InChIKey

SOASMJHVAOIYFU-UHFFFAOYSA-N

Canonical SMILES

C1CN(CCC1O)C2=NC=CN=C2Cl

UNSPSC Code

12352100

Physical and chemical properties of 1-(3-Chloropyrazin-2-yl)piperidin-4-ol

H Bond Acceptors

4

H Bond Donors

1

LogP

0.382683796666666

Molecular Formula

C9H12ClN3O

Molecular Weight

213.66

Safety Information of 1-(3-Chloropyrazin-2-yl)piperidin-4-ol

Pictograms

Signal Word

 Warning

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

Applications of 1-(3-Chloropyrazin-2-yl)piperidin-4-ol

This compound has potential applications across several fields:

  • Pharmaceutical Development: Its role as a phosphodiesterase inhibitor makes it a candidate for developing drugs targeting cardiovascular diseases and cancer.
  • Research Tool: It can serve as a model compound in studies focusing on the structure-activity relationship of piperidine derivatives.

Interaction Studies of 1-(3-Chloropyrazin-2-yl)piperidin-4-ol

Interaction studies involving 1-(3-Chloropyrazin-2-yl)piperidin-4-ol have highlighted its ability to bind selectively to certain biological targets. Notably:

  • Molecular Docking Studies: These studies suggest that the compound can effectively interact with specific enzyme active sites, potentially leading to significant pharmacological effects.
  • ADMET Profiling: Assessment of Absorption, Distribution, Metabolism, Excretion, and Toxicity profiles indicates favorable characteristics for drug development.

Biological Activity of 1-(3-Chloropyrazin-2-yl)piperidin-4-ol

1-(3-Chloropyrazin-2-yl)piperidin-4-ol exhibits significant biological activity, particularly as an inhibitor of phosphodiesterase enzymes. This inhibition is crucial for various therapeutic applications, including:

  • Anticancer Activity: Studies indicate that compounds with similar structures have shown cytotoxic effects against various cancer cell lines.
  • Neuropharmacological Effects: Due to its ability to cross the blood-brain barrier, it may have implications in treating neurological disorders.