[Go]
PubMed | Entrez | Structure | PubChem | Help
PubChem » Compound Summary
 


piperazine - Compound Summary (CID 4837)

RN given refers to parent cpd; synonym pripsen refers to unspecified salt


Drug and Chemical Information: (Total:1)         

Pharmacological Action

Antinematodal Agents - Substances used in the treatment or control of nematode infestations. They are used also in veterinary practice.


  Pharmacological Classification
Chemical Actions and Uses
      Pharmacologic Actions
            Therapeutic Uses
                  Anti-Infective Agents
                        Antiparasitic Agents
                              Anthelmintics
                                    Antinematodal Agents


Safety and Toxicology

HSDB - Peer-reviewed summary of toxicity and biomedical effects

NIOSH Pocket Guide - NIOSH Material Data Safety Sheets

NJ-HSFS - New Jersey Material Data Safety Sheets

EINECS - European Inventory of Existing Commercial Chemical Substances

EINECS - European Inventory of Existing Commercial Chemical Substances

EINECS - European Inventory of Existing Commercial Chemical Substances

EINECS - European Inventory of Existing Commercial Chemical Substances

GENETOX - Genetic toxicology information

Haz-Map - Occupational toxicology information

TOXLINE - Citations to the toxicological literature

TOXLINE - Citations to the toxicological literature


Literature

Literature Keyword Mining Tool



BioActivity Results:
Tested in BioAssays: All: 40   Active: 1   Inactive: 38
BioActivity Summary: This Compound   with Similar Compounds

AID: 1195 Source: EPA DSSTox
DSSTox (FDAMDD) FDA Maximum (Recommended) Daily Dose Database

AID: 1519 Source: NCGC
qHTS Assay for Lipid Storage Modulators

AID: 1479 Source: NCGC
Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2

AID: 1477 Source: NCGC
qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia

more ...

Depositor-Supplied Synonyms: (Total: 131)
Display: Next 10 | All | Sort:
piperazine
Diethylenediamine
Hexahydropyrazine
Diethyleneimine
Piperazidine
Dispermine
Lumbrical
Wurmirazin
Pipersol
Antiren


Properties Computed from Structure:
Molecular Weight86.1356 [g/mol]
Molecular FormulaC4H10N2
XLogP3-1.5
H-Bond Donor2
H-Bond Acceptor2
Rotatable Bond Count0
Exact Mass86.084398
MonoIsotopic Mass86.084398
Topological Polar Surface Area24.1
Heavy Atom Count6
Formal Charge0
Complexity26.5
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: piperazine
Canonical SMILES: C1CNCCN1
InChI: InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2
InChIKey: GLUUGHFHXGJENI-UHFFFAOYSA-N


Compound Information:
CID 4837   
Create Date: 2004-09-16

Related Compounds:
Same, Connectivity: 4 Links

Similar Compounds: 89 Links
Similar Conformers: 274 Links    View Conformers


Substance Information:
Substances:
    All: 1323 Links
    Same structure: 110 Links
    Mixture: 1213 Links

Category: [for same structure substances]
Biological Properties: 55 Links
   ChEBI ( 1 )
SID 8144317 - External ID: CHEBI:28568
   ChemBank ( 50 )   
   DiscoveryGate ( 1 )
SID 8152972 - External ID: 4837
   DTP/NCI ( 1 )
SID 67380 - External ID: 474
   LeadScope ( 1 )
SID 49854715 - External ID: LS-517
   NINDS Approved Drug Screening Program ( 1 )
SID 8149486 - External ID: 01500490

Journal Publishers: 2 Links
   Nature Chemical Biology ( 1 )
SID 14710686 - External ID: nchembio814-comp12
   Thomson Pharma ( 1 )
SID 14747360 - External ID: 00048459

Metabolic Pathways: 2 Links
   KEGG ( 2 )
SID 10174 - External ID: C07973
SID 7847872 - External ID: D00807

NIH Molecular Libraries: 3 Links
   Emory University Molecular Libraries Screening Center ( 1 )
SID 26611879 - External ID: SPECTRUM1500490
   NCGC ( 2 )
SID 26748210 - External ID: NCGC00094762-01
SID 26748211 - External ID: NCGC00094762-02

Physical Properties: 5 Links
   ChemExper Chemical Directory ( 1 )
SID 3134286 - External ID: sFt@ATiTvjh@@
   MP Biomedicals ( 1 )
SID 51075550 - External ID: 216837
   NIST ( 1 )
SID 10336275 - External ID: 3359011951
   NIST Chemistry WebBook ( 1 )
SID 10503893 - External ID: 3359011951
   NMRShiftDB ( 1 )
SID 587321 - External ID: 10008641

Substance Vendors: 38 Links
   Ambinter ( 1 )
SID 48583492 - External ID: ST5214437
   ChemExper Chemical Directory ( 1 )
SID 3134286 - External ID: sFt@ATiTvjh@@
   ChemSpider ( 32 )   
   MP Biomedicals ( 1 )
SID 51075550 - External ID: 216837
   Sigma-Aldrich ( 3 )
SID 24887569 - External ID: 80621_FLUKA
SID 24887570 - External ID: 80622_FLUKA
SID 24898556 - External ID: P45907_SIAL

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID 5514467 - External ID: 3968168

Toxicology: 5 Links
   ChemIDplus ( 1 )
SID 151200 - External ID: 000110850
   EPA DSSTox ( 4 )
SID 48414343 - External ID: 21164
SID 48416442 - External ID: 23483
SID 48417252 - External ID: 26856
SID 48423956 - External ID: 31910
     

2D

3D
Compound ID4837
Molecular Weight86.1356 [g/mol]
Molecular FormulaC4H10N2
XLogP3-1.5
H-Bond Donor2
H-Bond Acceptor2


 Write to Helpdesk | Disclaimer | Privacy statement | Accessibility