compound 1 [PMID: 21273063]

Ligand id: 5745

Name: compound 1 [PMID: 21273063]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 45.67
Molecular weight 345.24
XLogP 3.59
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
tert-butyl 4-[1-(pyridin-3-yl)piperidin-4-yl]piperidine-1-carboxylate
Database Links
ChEMBL Ligand CHEMBL1770918
PubChem CID 54580880
Search Google for chemical match using the InChIKey CRZGKAWVJIDZPZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CRZGKAWVJIDZPZ
Search UniChem for chemical match using the InChIKey CRZGKAWVJIDZPZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CRZGKAWVJIDZPZ