Basic information
- CAS
21263-23-0- Standard SMILES
COC(CN1CCN(CCC(=O)c2cccs2)CC1)c1ccccc1.Cl.Cl- InChIKey
SHBWRQBUHRUBLU-UHFFFAOYSA-N- Molecular formula
- C20H28Cl2N2O2S
- Average molar mass
- 431.4 g/mol
- Monoisotopic mass
- 430.1248547
Names & identifiers
- Preferred name
- 1-Propanone, 3-(4-(beta-methoxyphenethyl)-1-piperazinyl)-1-(2-thienyl)-, dihydrochloride
- IUPAC
- 3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one;dihydrochloride
Names & synonyms
21263-23-03-(4-(beta-Methoxyphenethyl)-1-piperazinyl)-1-(2-thienyl)-1-propanone dihydrochloride1-Propanone, 3-(4-(beta-methoxyphenethyl)-1-piperazinyl)-1-(2-thienyl)-, dihydrochlorideRefChem:234963DTXSID809437043-[4-(2-Methoxy-2-phenylethyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
21263-23-0- PubChem CID
- 210467
- DTXSID
DTXSID80943704
Properties
Computed structural properties
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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