3-Azabicyclo(3.2.1)octane-2,4-dione, 1,8,8-trimethyl-3-(3-(4-(4-methylphenyl)-1-piperazinyl)propyl)-, dihydrochloride
Basic information
- CAS
90619-44-6- Standard SMILES
Cc1ccc(N2CCN(CCCN3C(=O)C4CCC(C)(C3=O)C4(C)C)CC2)cc1.Cl.Cl- InChIKey
ITOOCZAABMXTGI-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-(4-methylphenyl)-1-piperazinyl)propyl)-, dihydrochloride
- IUPAC
- 1,8,8-trimethyl-3-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3-azabicyclo[3.2.1]octane-2,4-dione;dihydrochloride
Names & synonyms
90619-44-63-Azabicyclo(3.2.1)octane-2,4-dione, 1,8,8-trimethyl-3-(3-(4-(4-methylphenyl)-1-piperazinyl)propyl)-, dihydrochlorideRefChem:276749DTXSID509202691,8,8-Trimethyl-3-{3-[4-(4-methylphenyl)piperazin-1-yl]propyl}-3-azabicyclo[3.2.1]octane-2,4-dione--hydrogen chloride (1/2)
Database identifiers
- CAS
90619-44-6- PubChem CID
- 56093
- DTXSID
DTXSID50920269
Properties
Computed structural properties
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 632
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Compound notes
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