Basic information
- CAS
21263-40-1- Standard SMILES
COc1cc(C(=O)CCN2CCN(CC(OC)c3ccccc3)CC2)cc(OC)c1OC.Cl.Cl- InChIKey
BTCBOANPHLLJOW-UHFFFAOYSA-N- Molecular formula
- C25H36Cl2N2O5
- Average molar mass
- 515.5 g/mol
- Monoisotopic mass
- 514.2001276
Names & identifiers
- Preferred name
- Propiophenone, 3-(4-(beta-methoxyphenethyl)-1-piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride
- IUPAC
- 3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one;dihydrochloride
Names & synonyms
Propiophenone, 3-(4-(beta-methoxyphenethyl)-1-piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride21263-40-1RefChem:375348DTXSID409437203-[4-(2-Methoxy-2-phenylethyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
21263-40-1- PubChem CID
- 210499
- DTXSID
DTXSID40943720
Properties
Computed structural properties
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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