1-Piperazinepropanol, alpha-(p-chlorophenyl)-4-(beta-isobutoxyphenethyl)-, dihydrochloride
Basic information
- CAS
27588-40-5- Standard SMILES
CC(C)(C)OC(Cc1ccccc1)N1CCN(CCC(O)c2ccc(Cl)cc2)CC1.Cl.Cl- InChIKey
SWUABSYPUGEPCO-UHFFFAOYSA-N- Molecular formula
- C25H37Cl3N2O2
- Average molar mass
- 503.9 g/mol
- Monoisotopic mass
- 502.192062
Names & identifiers
- Preferred name
- 1-Piperazinepropanol, alpha-(p-chlorophenyl)-4-(beta-isobutoxyphenethyl)-, dihydrochloride
- IUPAC
- 1-(4-chlorophenyl)-3-[4-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]piperazin-1-yl]propan-1-ol;dihydrochloride
Names & synonyms
alpha-(p-Chlorophenyl)-4-(beta-isobutoxyphenethyl)-1-piperazinepropanol dihydrochloride27588-40-51-Piperazinepropanol, alpha-(p-chlorophenyl)-4-(beta-isobutoxyphenethyl)-, dihydrochlorideRefChem:234087DTXSID209502553-[4-(1-tert-Butoxy-2-phenylethyl)piperazin-1-yl]-1-(4-chlorophenyl)propan-1-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
27588-40-5- PubChem CID
- 214032
- DTXSID
DTXSID20950255
Properties
Computed structural properties
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 476
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Compound notes
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