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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1412
CHEMBL1412
Compound Name PIPERAZINE
ChEMBL Synonyms PIPERAZINE
Max Phase 4 (Approved)
Trade Names
Molecular Formula C4H10N2

Additional synonyms for CHEMBL1412 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CNCCN1
Standard InChI InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2
Standard InChI Key GLUUGHFHXGJENI-UHFFFAOYSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1412

Molecule Features

CHEMBL1412 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov PIPERAZINE
The Cochrane Collaboration PIPERAZINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
86.1 86.0844 -0.8 0 24.06 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.55 -1.5 -3.61 0 6 0.4

Structural Alerts

There are no structural alerts for CHEMBL1412

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P02 - ANTHELMINTICS
P02C - ANTINEMATODAL AGENTS
P02CB - Piperazine and derivatives
P02CB01 - piperazine

ChemSpider ChemSpider:GLUUGHFHXGJENI-UHFFFAOYSA-N
PubChem SID: 144207113 SID: 144209440 SID: 144210424 SID: 26748210
Wikipedia Piperazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1412



ACToR 110-85-0
ChEBI 28568
DrugBank DB00592
DrugCentral 2188
eMolecules 531005
EPA CompTox Dashboard DTXSID1021164
FDA SRS 1RTM4PAL0V
Human Metabolome Database HMDB14730
IBM Patent System 36EB168FAF401E3FA9F8A0D62B91AED4
KEGG Ligand C07973
Mcule MCULE-5522245554
Nikkaji J1.981J
NMRShiftDB 10008641
PDBe PZE
PharmGKB PA450977
PubChem 4837
PubChem: Thomson Pharma 14747360
SureChEMBL SCHEMBL238
ZINC ZINC000005850277

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/GLUUGHFHXGJENI-UHFFFAOYSA-N spacer
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