1-Piperazinepropanol, 4-(beta-ethoxyphenethyl)-alpha-(p-fluorophenyl)-, dihydrochloride
Basic information
- CAS
27588-37-0- Standard SMILES
CCOC(Cc1ccccc1)N1CCN(CCC(O)c2ccc(F)cc2)CC1.Cl.Cl- InChIKey
YRDFVVFYIXTILX-UHFFFAOYSA-N- Molecular formula
- C23H33Cl2FN2O2
- Average molar mass
- 459.4 g/mol
- Monoisotopic mass
- 458.1903118
Names & identifiers
- Preferred name
- 1-Piperazinepropanol, 4-(beta-ethoxyphenethyl)-alpha-(p-fluorophenyl)-, dihydrochloride
- IUPAC
- 3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-fluorophenyl)propan-1-ol;dihydrochloride
Names & synonyms
4-(beta-Ethoxyphenethyl)-alpha-(p-fluorophenyl)-1-piperazinepropanol dihydrochloride27588-37-01-(2-Phenyl-2-ethoxy)ethyl-4-(3-(4-fluorophenyl)-3-hydroxypropyl)piperazine dihydrochloride1-Piperazinepropanol, 4-(beta-ethoxyphenethyl)-alpha-(p-fluorophenyl)-, dihydrochlorideRefChem:234073DTXSID409502523-[4-(1-Ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-fluorophenyl)propan-1-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
27588-37-0- PubChem CID
- 214026
- DTXSID
DTXSID40950252
Properties
Computed structural properties
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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