Basic information
- CAS
91401-13-7- Standard SMILES
C=C(CN1CCN(C)CC1)C(=O)c1ccccc1.Cl.Cl- InChIKey
YFCLHQSGIRLSNZ-UHFFFAOYSA-N- Molecular formula
- C15H22Cl2N2O
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 316.1109187
Names & identifiers
- Preferred name
- 2-((4-Methyl-1-piperazinyl)methyl)-1-phenyl-2-propen-1-one dihydrochloride
- IUPAC
- 2-[(4-methylpiperazin-1-yl)methyl]-1-phenylprop-2-en-1-one;dihydrochloride
Names & synonyms
91401-13-7DTXSID809197672-((4-Methyl-1-piperazinyl)methyl)-1-phenyl-2-propen-1-one dihydrochloride2-[(4-Methylpiperazin-1-yl)methyl]-1-phenylprop-2-en-1-one--hydrogen chloride (1/2)2-Propen-1-one, 2-((4-methyl-1-piperazinyl)methyl)-1-phenyl-, dihydrochloride
Database identifiers
- CAS
91401-13-7- PubChem CID
- 150339
- DTXSID
DTXSID80919767
Properties
Computed structural properties
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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