1-Butanone, 4-(4-(2-(4-chlorophenoxy)ethyl)-1-piperazinyl)-1-(4-fluorophenyl)-, dihydrochloride
Basic information
- CAS
37133-92-9- Standard SMILES
Cl.Cl.O=C(CCCN1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc(F)cc1- InChIKey
UNDWSKMTFBEWED-UHFFFAOYSA-N- Molecular formula
- C22H28Cl3FN2O2
- Average molar mass
- 477.8 g/mol
- Monoisotopic mass
- 476.120039
Names & identifiers
- Preferred name
- 1-Butanone, 4-(4-(2-(4-chlorophenoxy)ethyl)-1-piperazinyl)-1-(4-fluorophenyl)-, dihydrochloride
- IUPAC
- 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one;dihydrochloride
Names & synonyms
1-Butanone, 4-(4-(2-(4-chlorophenoxy)ethyl)-1-piperazinyl)-1-(4-fluorophenyl)-, dihydrochloride37133-92-9DTXSID90190621RefChem:228930DTXCID301131124-{4-[2-(4-Chlorophenoxy)ethyl]piperazin-1-yl}-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
37133-92-9- PubChem CID
- 216152
- DTXSID
DTXSID90190621
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 457
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Compound notes
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