piperidine

Ligand id: 5477

Name: piperidine

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 12.03
Molecular weight 85.09
XLogP 0.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Classification
Compound class Synthetic organic
IUPAC Name
piperidine
Synonyms
cyclopentimine | cypentil | hexazane
Database Links
CAS Registry No. 110-89-4
ChEBI CHEBI:18049
ChEMBL Ligand CHEMBL15487
GtoPdb PubChem SID 178102125
PubChem CID 8082
RCSB PDB Ligand PIP
Search Google for chemical match using the InChIKey NQRYJNQNLNOLGT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NQRYJNQNLNOLGT
Search UniChem for chemical match using the InChIKey NQRYJNQNLNOLGT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NQRYJNQNLNOLGT
Wikipedia Piperidine