1,3-Dioxol-2-one, 4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, dihydrochloride
Basic information
- CAS
95217-29-1- Standard SMILES
COc1ccccc1N1CCN(CCc2oc(=O)oc2-c2ccc(F)cc2)CC1.Cl.Cl- InChIKey
CHRSGMSEDZAAAH-UHFFFAOYSA-N- Molecular formula
- C22H25Cl2FN2O4
- Average molar mass
- 471.3 g/mol
- Monoisotopic mass
- 470.1175408
Names & identifiers
- Preferred name
- 1,3-Dioxol-2-one, 4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, dihydrochloride
- IUPAC
- 4-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-dioxol-2-one;dihydrochloride
Names & synonyms
95217-29-11,3-Dioxol-2-one, 4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, dihydrochlorideDTXSID502417894-(4-Fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-1,3-dioxol-2-one 2HClRefChem:218883DTXCID301642804-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-dioxol-2-one dihydrochlorideSCHEMBL11471950CHRSGMSEDZAAAH-UHFFFAOYSA-N4-(4-fluorophenyl)-5-[2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl]-1,3-dioxol-2-one dihydrochloride4-(4-Fluorophenyl)-5-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-2H-1,3-dioxol-2-one--hydrogen chloride (1/2)
Database identifiers
- CAS
95217-29-1- PubChem CID
- 56880
- DTXSID
DTXSID50241789
Properties
Computed structural properties
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 598
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Related reactions
1 records
Compound notes
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