Propiophenone, 3-(4-(beta-(isopentyloxy)phenethyl)-1-piperazinyl)-2-methyl-, dihydrochloride
Basic information
- CAS
21263-09-2- Standard SMILES
CC(C)CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1.Cl.Cl- InChIKey
DNQCKHZQDYWTBR-UHFFFAOYSA-N- Molecular formula
- C27H40Cl2N2O2
- Average molar mass
- 495.5 g/mol
- Monoisotopic mass
- 494.2466839
Names & identifiers
- Preferred name
- Propiophenone, 3-(4-(beta-(isopentyloxy)phenethyl)-1-piperazinyl)-2-methyl-, dihydrochloride
- IUPAC
- 2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]-1-phenylpropan-1-one;dihydrochloride
Names & synonyms
21263-09-23-(4-(beta-(Isopentyloxy)phenethyl)-1-piperazinyl)-2-methylpropiophenone dihydrochloride1-Propanone, 2-methyl-3-(4-(2-(3-methylbutoxy)-2-phenylethyl)-1-piperazinyl)-1-phenyl-, 2HClPropiophenone, 3-(4-(beta-(isopentyloxy)phenethyl)-1-piperazinyl)-2-methyl-, dihydrochlorideRefChem:375333DTXSID509436902-Methyl-3-{4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl}-1-phenylpropan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
21263-09-2- PubChem CID
- 210439
- DTXSID
DTXSID50943690
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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