Propiophenone, 3-(4-(beta-ethoxyphenethyl)-1-piperazinyl)-4'-methoxy-2-methyl-, dihydrochloride
Basic information
- CAS
21263-11-6- Standard SMILES
CCOC(CN1CCN(CC(C)C(=O)c2ccc(OC)cc2)CC1)c1ccccc1.Cl.Cl- InChIKey
NYWIGTIWYYKSMP-UHFFFAOYSA-N- Molecular formula
- C25H36Cl2N2O3
- Average molar mass
- 483.5 g/mol
- Monoisotopic mass
- 482.2102984
Names & identifiers
- Preferred name
- Propiophenone, 3-(4-(beta-ethoxyphenethyl)-1-piperazinyl)-4'-methoxy-2-methyl-, dihydrochloride
- IUPAC
- 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methoxyphenyl)-2-methylpropan-1-one;dihydrochloride
Names & synonyms
Propiophenone, 3-(4-(beta-ethoxyphenethyl)-1-piperazinyl)-4'-methoxy-2-methyl-, dihydrochloride21263-11-6RefChem:375341DTXSID709436923-[4-(2-Ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methoxyphenyl)-2-methylpropan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
21263-11-6- PubChem CID
- 210443
- DTXSID
DTXSID70943692
Properties
Computed structural properties
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 493
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Compound notes
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