ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL134752
CHEMBL134752
Compound Name DIMETHYLPHENYLPIPERAZINIUM
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H19N2

Additional synonyms for CHEMBL134752 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[N+]1(C)CCN(CC1)c2ccccc2
Standard InChI InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3 ...
Download InChI
Standard InChI Key MKGIQRNAGSSHRV-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL134752

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
191.3 191.1548 0.59 1 3.24 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.06 -1.39 -1.39 1 14 0.59

Structural Alerts

There are 1 structural alerts for CHEMBL134752. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MKGIQRNAGSSHRV-UHFFFAOYSA-N
PubChem SID: 11111084 SID: 90340886
Wikipedia Dimethylphenylpiperazinium

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL134752



ACToR 114-28-3
BindingDB 50061567
ChEBI 124985
EPA CompTox Dashboard DTXSID10150626
FDA SRS 2FLS86GK2A
Guide to Pharmacology 3967
IBM Patent System D7ABB46EAA49238A0773479F8C1AFCE1
LINCS LSM-36445
Mcule MCULE-7122222999
Nikkaji J231.700A
PubChem 1316
PubChem: Thomson Pharma 74372229
SureChEMBL SCHEMBL3453554
ZINC ZINC00155006

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