Acetophenone, 1-(4-benzylpiperazinyl)-3',4',5'-trimethoxy-, dihydrochloride
Basic information
- CAS
17837-65-9- Standard SMILES
COc1cc(C(=O)CN2CCN(Cc3ccccc3)CC2)cc(OC)c1OC.Cl.Cl- InChIKey
YHOPYFDMPZUVCS-UHFFFAOYSA-N- Molecular formula
- C22H30Cl2N2O4
- Average molar mass
- 457.4 g/mol
- Monoisotopic mass
- 456.1582628
Names & identifiers
- Preferred name
- Acetophenone, 1-(4-benzylpiperazinyl)-3',4',5'-trimethoxy-, dihydrochloride
- IUPAC
- 2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
Names & synonyms
17837-65-91-Benzyl-4-(3,4,5-trimethoxybenzoylmethyl)piperidine dihydrochlorideACETOPHENONE, 1-(4-BENZYLPIPERAZINYL)-3',4',5'-TRIMETHOXY-, DIHYDROCHLORIDEDTXSID101704651-(4-Benzylpiperazinyl)-3',4',5'-trimethoxyacetophenone dihydrochloridePiperidine, 1-benzyl-4-(3,4,5-trimethoxybenzoylmethyl)-, dihydrochlorideRefChem:316867DTXCID00929562-(4-Benzyl-1-piperazinyl)-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride2-(4-Benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
17837-65-9- PubChem CID
- 28805
- DTXSID
DTXSID10170465
Properties
Computed structural properties
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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