1,3-Dioxol-2-one, 5-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, dihydrochloride
Basic information
- CAS
71923-24-5- Standard SMILES
Cl.Cl.O=c1oc(CCN2CCN(c3cccc(Cl)c3)CC2)c(-c2ccc(F)cc2)o1- InChIKey
XGRRPDOHCPHBJU-UHFFFAOYSA-N- Molecular formula
- C21H22Cl3FN2O3
- Average molar mass
- 475.8 g/mol
- Monoisotopic mass
- 474.068004
Names & identifiers
- Preferred name
- 1,3-Dioxol-2-one, 5-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, dihydrochloride
- IUPAC
- 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-(4-fluorophenyl)-1,3-dioxol-2-one;dihydrochloride
Names & synonyms
71923-24-51,3-Dioxol-2-one, 5-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, dihydrochlorideDTXSID202222075-(2-(4-(3-Chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-1,3-dioxol-2-one 2HClRefChem:218891DTXCID801446984-{2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl}-5-(4-fluorophenyl)-2H-1,3-dioxol-2-one--hydrogen chloride (1/2)
Database identifiers
- CAS
71923-24-5- PubChem CID
- 51452
- DTXSID
DTXSID20222207
Properties
Computed structural properties
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 586
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Related reactions
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Compound notes
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