Propiophenone, 4'-chloro-3-(4-(beta-(isopentyloxy)phenethyl)-1-piperazinyl)-2-methyl-, dihydrochloride
Basic information
- CAS
21263-17-2- Standard SMILES
CC(C)CCOC(CN1CCN(CC(C)C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1.Cl.Cl- InChIKey
DSSRZPARRDWWJV-UHFFFAOYSA-N- Molecular formula
- C27H39Cl3N2O2
- Average molar mass
- 530 g/mol
- Monoisotopic mass
- 528.207712
Names & identifiers
- Preferred name
- Propiophenone, 4'-chloro-3-(4-(beta-(isopentyloxy)phenethyl)-1-piperazinyl)-2-methyl-, dihydrochloride
- IUPAC
- 1-(4-chlorophenyl)-2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]propan-1-one;dihydrochloride
Names & synonyms
21263-17-2Propiophenone, 4'-chloro-3-(4-(beta-(isopentyloxy)phenethyl)-1-piperazinyl)-2-methyl-, dihydrochlorideRefChem:375444DTXSID309436981-(4-Chlorophenyl)-2-methyl-3-{4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl}propan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
21263-17-2- PubChem CID
- 210455
- DTXSID
DTXSID30943698
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 536
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Related reactions
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Compound notes
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