Basic information
- CAS
40986-94-5- Standard SMILES
COc1ccc(OCCN2CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1.Cl.Cl- InChIKey
AZUWYKHIIBRZGL-UHFFFAOYSA-N- Molecular formula
- C23H31Cl2FN2O3
- Average molar mass
- 473.4 g/mol
- Monoisotopic mass
- 472.1695764
Names & identifiers
- Preferred name
- 1-Butanone, 1-(4-fluorophenyl)-4-(4-(2-(4-methoxyphenoxy)ethyl)-1-piperazinyl)-, dihydrochloride
- IUPAC
- 1-(4-fluorophenyl)-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]butan-1-one;dihydrochloride
Names & synonyms
1-Butanone, 1-(4-fluorophenyl)-4-(4-(2-(4-methoxyphenoxy)ethyl)-1-piperazinyl)-, dihydrochloride40986-94-5DTXSID40193980N(sup 1)-(3-(4'-Fluorobenzoyl)propyl)-N(sup 2)-(2-(4'-methoxyphenoxy)ethyl)piperazine 2HClRefChem:228862DTXCID801164711-(4-Fluorophenyl)-4-{4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl}butan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
40986-94-5- PubChem CID
- 218645
- DTXSID
DTXSID40193980
Properties
Computed structural properties
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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