Basic information
- CAS
27588-41-6- Standard SMILES
CC(C)(C)OC(Cc1ccccc1)N1CCN(CCC(O)c2ccc(F)cc2)CC1.Cl.Cl- InChIKey
MIJOKNLHSIKYRF-UHFFFAOYSA-N- Molecular formula
- C25H37Cl2FN2O2
- Average molar mass
- 487.5 g/mol
- Monoisotopic mass
- 486.221612
Names & identifiers
- Preferred name
- 1-Piperazinepropanol, alpha-(p-fluorophenyl)-4-(beta-isobutoxyphenethyl)-, dihydrochloride
- IUPAC
- 1-(4-fluorophenyl)-3-[4-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]piperazin-1-yl]propan-1-ol;dihydrochloride
Names & synonyms
alpha-(p-Fluorophenyl)-4-(beta-isobutoxyphenethyl)-1-piperazinepropanol dihydrochloride27588-41-61-(2-Phenyl-2-isobutoxy)ethyl-4-(3-(4-fluorophenyl)-3-hydroxypropyl)piperazine dihydrochloride1-Piperazinepropanol, alpha-(p-fluorophenyl)-4-(beta-isobutoxyphenethyl)-, dihydrochlorideRefChem:234089DTXSID809502563-[4-(1-tert-Butoxy-2-phenylethyl)piperazin-1-yl]-1-(4-fluorophenyl)propan-1-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
27588-41-6- PubChem CID
- 214034
- DTXSID
DTXSID80950256
Properties
Computed structural properties
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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