DIMETHYLPHENYLPIPERAZINIUM IODIDE

/static/temp/default.svg Search structure
Molecule Category Salt-form
UNII X95H7DRX99
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key XFZJGFIKQCCLGK-UHFFFAOYSA-M
Smiles [I-].C[N+]1(C)CCN(CC1)c2ccccc2
InChI
InChI=1S/C12H19N2.HI/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-7H,8-11H2,1-2H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H19N2.I
Molecular Weight 318.2
AlogP 0.59
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 3.24
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Apis mellifera
- 7350-385000 - - -

Cross References

Resources Reference
ChEMBL CHEMBL47814
FDA SRS X95H7DRX99
SureChEMBL SCHEMBL305083
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