Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	53118
Common Name:	1,1-dimethyl-4-phenylpiperazinium iodide
Systematic Name:	1,1-dimethyl-4-phenylpiperazinium iodide
RefMet Name:	1,1-Dimethyl-4-phenylpiperazinium iodide
Synonyms:	1,1-Dimethyl-4-phenylpiperazine iodide; 1,1-Dimethyl-4-phenylpiperazinium Iodide; DMPP; DMPP iodide; Dimethylphenylpiperazinium iodide; N,N-Dimethyl-N'-phenylpiperazinium iodide [PubChem Synonyms]
Exact Mass:	318.0593 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C12H19IN2
InChIKey:	XFZJGFIKQCCLGK-UHFFFAOYSA-M
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Diazinanes [C0002389]
ClassyFire subclass:	Piperazines [C0000189]
ClassyFire direct parent:	Phenylpiperazines [C0001984]
SMILES:	C[N+]1(C)CCN(CC1)c1ccccc1.[I-]
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5911
CHEBI ID:	4290

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y