Basic information
- CAS
16785-31-2- Standard SMILES
CC(C)(C)c1ccc(CN2CCN(CC(=O)c3cc(CO)c(CO)c(CO)c3)CC2)cc1.Cl.Cl- InChIKey
SLQYSWPYVBTZPE-UHFFFAOYSA-N- Molecular formula
- C26H38Cl2N2O4
- Average molar mass
- 513.5 g/mol
- Monoisotopic mass
- 512.2208631
Names & identifiers
- Preferred name
- Acetophenone, 2-(4-(p-tert-butylbenzyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride
- IUPAC
- 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-1-[3,4,5-tris(hydroxymethyl)phenyl]ethanone;dihydrochloride
Names & synonyms
Acetophenone, 2-(4-(p-tert-butylbenzyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride16785-31-2DTXSID601684131-(p-tert-Butylbenzyl)-4-(3,4,5-trimethoxybenzoylemethyl)piperazine dihydrochloride2-(4-(p-tert-Butylbenzyl)piperazinyl)-3',4',5'-trimethoxyacetophenone dihydrochloridePiperazine, 1-(p-tert-butylbenzyl)-4-(3,4,5-trimethoxybenzoylmethyl)-, dihydrochlorideRefChem:316908DTXCID60909042-{4-[(4-tert-Butylphenyl)methyl]piperazin-1-yl}-1-[3,4,5-tris(hydroxymethyl)phenyl]ethan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
16785-31-2- PubChem CID
- 28076
- DTXSID
DTXSID60168413
Properties
Computed structural properties
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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