Basic information
- CAS
27588-38-1- Standard SMILES
C=CCOc1ccc(C(O)CCN2CCN(C(Cc3ccccc3)OCC)CC2)cc1.Cl.Cl- InChIKey
OBQIJRSOAUGVGY-UHFFFAOYSA-N- Molecular formula
- C26H38Cl2N2O3
- Average molar mass
- 497.5 g/mol
- Monoisotopic mass
- 496.2259485
Names & identifiers
- Preferred name
- 1-Piperazinepropanol, alpha-(p-(allyloxy)phenyl)-4-(beta-ethoxyphenethyl)-, dihydrochloride
- IUPAC
- 3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-prop-2-enoxyphenyl)propan-1-ol;dihydrochloride
Names & synonyms
27588-38-1alpha-(p-(Allyloxy)phenyl)-4-(beta-ethoxyphenethyl)-1-piperazinepropanol dihydrochloride1-Piperazinepropanol, alpha-(p-(allyloxy)phenyl)-4-(beta-ethoxyphenethyl)-, dihydrochlorideRefChem:234084DTXSID009502533-[4-(1-Ethoxy-2-phenylethyl)piperazin-1-yl]-1-{4-[(prop-2-en-1-yl)oxy]phenyl}propan-1-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
27588-38-1- PubChem CID
- 214028
- DTXSID
DTXSID00950253
Properties
Computed structural properties
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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