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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 0
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

Molecule Features

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

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are no structural alerts for CHEMBL1412

Alternate Forms of Compound in ChEMBL


CHEMBL1412

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

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
eMolecules 531005
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

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