Basic information
- CAS
63990-81-8- Standard SMILES
CC(=O)c1cccc(OCC(O)CN2CCN(C)CC2)c1.Cl.Cl- InChIKey
FSGWUPVGLATWMM-UHFFFAOYSA-N- Molecular formula
- C16H26Cl2N2O3
- Average molar mass
- 365.3 g/mol
- Monoisotopic mass
- 364.1320481
Names & identifiers
- Preferred name
- Acetophenone, 3'-((2-hydroxy-3-(4-methylpiperazinyl))propoxy)-, dihydrochloride
- IUPAC
- 1-[3-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone;dihydrochloride
Names & synonyms
63990-81-83'-((2-Hydroxy-3-(4-methylpiperazinyl))propoxy)acetophenone dihydrochlorideACETOPHENONE, 3'-((2-HYDROXY-3-(4-METHYLPIPERAZINYL))PROPOXY)-, DIHYDROCHLORIDERefChem:316928DTXSID409817881-{3-[2-Hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl}ethan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
63990-81-8- PubChem CID
- 46197
- DTXSID
DTXSID40981788
Properties
Computed structural properties
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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