1-Piperazinepropanol, alpha-(p-butylphenyl)-4-(beta-ethoxyphenethyl)-, dihydrochloride
Basic information
- CAS
27588-44-9- Standard SMILES
CCCCc1ccc(C(O)CCN2CCN(C(Cc3ccccc3)OCC)CC2)cc1.Cl.Cl- InChIKey
AVDQTQUTYZBGFT-UHFFFAOYSA-N- Molecular formula
- C27H42Cl2N2O2
- Average molar mass
- 497.5 g/mol
- Monoisotopic mass
- 496.262334
Names & identifiers
- Preferred name
- 1-Piperazinepropanol, alpha-(p-butylphenyl)-4-(beta-ethoxyphenethyl)-, dihydrochloride
- IUPAC
- 1-(4-butylphenyl)-3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]propan-1-ol;dihydrochloride
Names & synonyms
alpha-(p-Butylphenyl)-4-(beta-ethoxyphenethyl)-1-piperazinepropanol dihydrochloride27588-44-91-Piperazinepropanol, alpha-(p-butylphenyl)-4-(beta-ethoxyphenethyl)-, dihydrochlorideRefChem:234085DTXSID609502591-(4-Butylphenyl)-3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]propan-1-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
27588-44-9- PubChem CID
- 214038
- DTXSID
DTXSID60950259
Properties
Computed structural properties
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 452
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Compound notes
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