Basic information
- CAS
17766-61-9- Standard SMILES
COc1cc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc(OC)c1OC.[Cl-]- InChIKey
DGWSBEFWPNKDTJ-UHFFFAOYSA-N- Molecular formula
- C22H29ClN2O4
- Average molar mass
- 420.9 g/mol
- Monoisotopic mass
- 420.1815851
Names & identifiers
- Preferred name
- Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride
- IUPAC
- [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone chloride
Names & synonyms
17766-61-91-(m-Methylbenzyl)-4-(3,4,5-trimethoxybenzoyl)piperazine hydrochloride4-(m-Methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl ketone hydrochloridePiperazine, 1-(m-methylbenzyl)-4-(3,4,5-trimethoxybenzoyl)-, hydrochlorideKETONE, 4-(m-METHYLBENZYL)PIPERAZINYL 3,4,5-TRIMETHOXYPHENYL, HYDROCHLORIDERefChem:350423
Database identifiers
- CAS
17766-61-9- PubChem CID
- 28752
Properties
Computed structural properties
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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