Basic information
- CAS
40986-93-4- Standard SMILES
Cc1ccc(Cl)c(OCCN2CCN(CCCC(=O)c3ccc(F)cc3)CC2)c1.Cl.Cl- InChIKey
IWUSUMMOLRRGKZ-UHFFFAOYSA-N- Molecular formula
- C23H30Cl3FN2O2
- Average molar mass
- 491.8 g/mol
- Monoisotopic mass
- 490.135689
Names & identifiers
- Preferred name
- 1-Butanone, 4-(4-(2-(2-chloro-5-methylphenoxy)ethyl)-1-piperazinyl)-1-(4-fluorophenyl)-, dihydrochloride
- IUPAC
- 4-[4-[2-(2-chloro-5-methylphenoxy)ethyl]piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one;dihydrochloride
Names & synonyms
40986-93-41-Butanone, 4-(4-(2-(2-chloro-5-methylphenoxy)ethyl)-1-piperazinyl)-1-(4-fluorophenyl)-, dihydrochlorideN1-(3-(4'-Fluorobenzoyl)propyl)-N2-(2-(2'-chloro-5'-methylphenoxy)ethyl)piperazine 2HClDTXSID30193979RefChem:228927DTXCID201164704-{4-[2-(2-Chloro-5-methylphenoxy)ethyl]piperazin-1-yl}-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
40986-93-4- PubChem CID
- 218643
- DTXSID
DTXSID30193979
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…