Basic information
- CAS
17755-60-1- Standard SMILES
COc1cc(C(=O)CN2CCN(Cc3cccc(C)c3)CC2)cc(OC)c1OC.Cl.Cl- InChIKey
WAZVOSIXPCNQOR-UHFFFAOYSA-N- Molecular formula
- C23H32Cl2N2O4
- Average molar mass
- 471.4 g/mol
- Monoisotopic mass
- 470.1739129
Names & identifiers
- Preferred name
- Acetophenone, 2-(4-(m-methylbenzyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride
- IUPAC
- 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
Names & synonyms
Acetophenone, 2-(4-(m-methylbenzyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride17755-60-1DTXSID201703301-(m-Methylbenzyl)-4-(3,4,5-trimethoxybenzoylmethyl)piperazine dihydrochloride2-(4-(m-Methylbenzyl)piperazinyl)-3',4',5'-trimethoxyacetophenone dihydrochloridePiperazine, 1-(m-methylbenzyl)-4-(3,4,5-trimethyoxybenzoylmethyl)-, dihydrochlorideRefChem:316904DTXCID00928212-{4-[(3-Methylphenyl)methyl]piperazin-1-yl}-1-(3,4,5-trimethoxyphenyl)ethan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
17755-60-1- PubChem CID
- 28735
- DTXSID
DTXSID20170330
Properties
Computed structural properties
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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