3-Azabicyclo(3.2.1)octane-2,4-dione, 3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-1,8,8-trimethyl-, dihydrochloride

HCID 56097

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Basic information

CAS: 90619-46-8
Standard SMILES: CC12CCC(C(=O)N(CCCN3CCN(c4ccc(Cl)cc4)CC3)C1=O)C2(C)C.Cl.Cl
InChIKey: CWBAYENSVDXUHN-UHFFFAOYSA-N
Molecular formula: C23H34Cl3N3O2
Average molar mass: 490.9 g/mol
Monoisotopic mass: 489.17166

Names & identifiers

Preferred name: 3-Azabicyclo(3.2.1)octane-2,4-dione, 3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-1,8,8-trimethyl-, dihydrochloride
IUPAC: 3-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione;dihydrochloride

Names & synonyms

90619-46-83-Azabicyclo(3.2.1)octane-2,4-dione, 3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-1,8,8-trimethyl-, dihydrochlorideRefChem:276751DTXSID309202673-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propyl}-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione--hydrogen chloride (1/2)

Database identifiers

CAS: 90619-46-8
PubChem CID: 56097
DTXSID: DTXSID30920267

Properties

Computed structural properties

Topological polar surface area: 43.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 31
Formal charge: 0
Complexity: 638

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