Butyrophenone, 4'-chloro-4-(4-(beta-methoxyphenethyl)-1-piperazinyl)-, dihydrochloride
Basic information
- CAS
21230-79-5- Standard SMILES
COC(CN1CCN(CCCC(=O)c2ccc(Cl)cc2)CC1)c1ccccc1.Cl.Cl- InChIKey
RUFKCQQRKPGVJI-UHFFFAOYSA-N- Molecular formula
- C23H31Cl3N2O2
- Average molar mass
- 473.9 g/mol
- Monoisotopic mass
- 472.145111
Names & identifiers
- Preferred name
- Butyrophenone, 4'-chloro-4-(4-(beta-methoxyphenethyl)-1-piperazinyl)-, dihydrochloride
- IUPAC
- 1-(4-chlorophenyl)-4-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]butan-1-one;dihydrochloride
Names & synonyms
4'-Chloro-4-(4-(beta-methoxyphenethyl)-1-piperazinyl)butyrophenone dihydrochloride21230-79-5Butyrophenone, 4'-chloro-4-(4-(beta-methoxyphenethyl)-1-piperazinyl)-, dihydrochlorideRefChem:331394DTXSID409436491-(4-Chlorophenyl)-4-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]butan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
21230-79-5- PubChem CID
- 210394
- DTXSID
DTXSID40943649
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 454
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Compound notes
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