Basic information
- CAS
90619-42-4- Standard SMILES
Cc1ccccc1C1CNCCN1CCCN1C(=O)C2CCC(C)(C1=O)C2(C)C.Cl.Cl- InChIKey
CDXROBAJVGWHKK-UHFFFAOYSA-N- Molecular formula
- C24H37Cl2N3O2
- Average molar mass
- 470.5 g/mol
- Monoisotopic mass
- 469.2262828
Names & identifiers
- Preferred name
- 3-Azabicyclo(3.2.1)octane-2,4-dione, 1,8,8-trimethyl-3-(3-(4-(2-methylphenyl)-1-piperazinyl)propyl)-, dihydrochloride
- IUPAC
- 1,8,8-trimethyl-3-[3-[2-(2-methylphenyl)piperazin-1-yl]propyl]-3-azabicyclo[3.2.1]octane-2,4-dione;dihydrochloride
Names & synonyms
90619-42-43-Azabicyclo(3.2.1)octane-2,4-dione, 1,8,8-trimethyl-3-(3-(4-(2-methylphenyl)-1-piperazinyl)propyl)-, dihydrochlorideRefChem:276748DTXSID609202701,8,8-Trimethyl-3-{3-[2-(2-methylphenyl)piperazin-1-yl]propyl}-3-azabicyclo[3.2.1]octane-2,4-dione--hydrogen chloride (1/2)
Database identifiers
- CAS
90619-42-4- PubChem CID
- 56091
- DTXSID
DTXSID60920270
Properties
Computed structural properties
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 648
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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