Basic information
- CAS
967-54-4- Standard SMILES
COc1cc(C(=O)N2CCN(C)CC2)cc(OC)c1OC- InChIKey
LQEOTHINZCAFAC-UHFFFAOYSA-N- Molecular formula
- C15H22N2O4
- Average molar mass
- 294.35 g/mol
- Monoisotopic mass
- 294.15795719
Names & identifiers
- Preferred name
- Piperazine, 1-methyl-4-(3,4,5-trimethoxybenzoyl)-
- IUPAC
- (4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
- English name
- GMS-5
- Molecular formula
- C15H22N2O4
- Molecular weight
- 0
Names & synonyms
Piperazine, 1-methyl-4-(3,4,5-trimethoxybenzoyl)-967-54-4NSC 560311-Methyl-4-(3,4,5-trimethoxybenzoyl)piperazineBRN 0760147LG 50,055NSC56031N-Metil-N'-(3,4,5-trimetossibenzoil)-piperazina [Italian]Oprea1_149549Oprea1_694396N-Metil-N'-(3,4,5-trimetossibenzoil)-piperazinaCHEMBL1619122
Show more names
GMS-5
SCHEMBL14076355DTXSID30242395NSC-56031AKOS000577123NCGC00245233-01ST507415174-methylpiperazinyl 3,4,5-trimethoxyphenyl ketone(4-methylpiperazin-1-yl)(3,4,5-trimethoxyphenyl)methanone
Database identifiers
- CAS
967-54-4- PubChem CID
- 96142
- DTXSID
DTXSID30242395- ChEMBL
CHEMBL1619122- Nikkaji
- J77.292E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Toxicity
- 50 oral · LD50 oral in mouse: 3230mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in mouse: 3230mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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