DMPP   Click here for help

GtoPdb Ligand ID: 3967

Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 3.24
Molecular weight 191.15
XLogP 1.8
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES C[N+]1(C)CCN(CC1)c1ccccc1
Isomeric SMILES C[N+]1(C)CCN(CC1)c1ccccc1
InChI InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1
InChI Key MKGIQRNAGSSHRV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1,1-dimethyl-4-phenylpiperazin-1-ium
Database Links Click here for help
CAS Registry No. 114-28-3 (source: Scifinder)
ChEMBL Ligand CHEMBL134752
GtoPdb PubChem SID 178100793
PubChem CID 1316
Search Google for chemical match using the InChIKey MKGIQRNAGSSHRV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MKGIQRNAGSSHRV
Search UniChem for chemical match using the InChIKey MKGIQRNAGSSHRV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MKGIQRNAGSSHRV
Wikipedia Dimethylphenylpiperazinium