1-Propanone, 3-(4-(beta-methoxyphenethyl)-1-piperazinyl)-2-methyl-1-(2-thienyl)-, dihydrochloride
Basic information
- CAS
21263-06-9- Standard SMILES
COC(CN1CCN(CC(C)C(=O)c2cccs2)CC1)c1ccccc1.Cl.Cl- InChIKey
BNQLBSGHXTUDSD-UHFFFAOYSA-N- Molecular formula
- C21H30Cl2N2O2S
- Average molar mass
- 445.4 g/mol
- Monoisotopic mass
- 444.1405048
Names & identifiers
- Preferred name
- 1-Propanone, 3-(4-(beta-methoxyphenethyl)-1-piperazinyl)-2-methyl-1-(2-thienyl)-, dihydrochloride
- IUPAC
- 3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-thiophen-2-ylpropan-1-one;dihydrochloride
Names & synonyms
1-Propanone, 3-(4-(beta-methoxyphenethyl)-1-piperazinyl)-2-methyl-1-(2-thienyl)-, dihydrochloride21263-06-9RefChem:234964DTXSID209436873-[4-(2-Methoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-(thiophen-2-yl)propan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
21263-06-9- PubChem CID
- 210433
- DTXSID
DTXSID20943687
Properties
Computed structural properties
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 434
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Compound notes
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