Benzaldehyde, 3-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)-, dihydrochloride
Basic information
- CAS
84344-64-9- Standard SMILES
Cl.Cl.O=Cc1cccc(OCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1- InChIKey
VMHQJMYKAWWNOB-UHFFFAOYSA-N- Molecular formula
- C21H25Cl2F3N2O2
- Average molar mass
- 465.3 g/mol
- Monoisotopic mass
- 464.1245179
Names & identifiers
- Preferred name
- Benzaldehyde, 3-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)-, dihydrochloride
- IUPAC
- 3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]benzaldehyde;dihydrochloride
Names & synonyms
Benzaldehyde, 3-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)-, dihydrochloride84344-64-9DTXSID802333343-(3-(4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl)propoxy)benzaldehyde dihydrochlorideRefChem:321166DTXCID801558253-(3-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}propoxy)benzaldehyde--hydrogen chloride (1/2)
Database identifiers
- CAS
84344-64-9- PubChem CID
- 55241
- DTXSID
DTXSID80233334
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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