piperidine   Click here for help

GtoPdb Ligand ID: 5477

Synonyms: cyclopentimine | cypentil | hexazane
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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Canonical SMILES C1CCCNC1
Isomeric SMILES C1CCCNC1
InChI InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
InChI Key NQRYJNQNLNOLGT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
piperidine
Synonyms Click here for help
cyclopentimine | cypentil | hexazane
Database Links Click here for help
CAS Registry No. 110-89-4
ChEBI CHEBI:18049
ChEMBL Ligand CHEMBL15487
GtoPdb PubChem SID 178102125
PubChem CID 8082
RCSB PDB Ligand PIP
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Wikipedia Piperidine