1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride
Basic information
- CAS
596-99-6- Standard SMILES
CC1CC(=O)C(C)([NH+]2CCCCC2)C[NH+]1C.[Cl-].[Cl-]- InChIKey
ILZVIJGDEWKPFN-UHFFFAOYSA-N- Molecular formula
- C13H26Cl2N2O
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 296.1422188
Names & identifiers
- Preferred name
- 1,3'-Bipiperidin-4'-one, 1',3',6'-trimethyl-, dihydrochloride
- IUPAC
- 1,2,5-trimethyl-5-piperidin-1-ium-1-ylpiperidin-1-ium-4-one dichloride
Names & synonyms
596-99-61',3',6'-Trimethyl-1',3'-bipiperidin-4'-one dihydrochloride1,3'-BIPIPERIDIN-4'-ONE, 1',3',6'-TRIMETHYL-, DIHYDROCHLORIDERefChem:216533
Database identifiers
- CAS
596-99-6- PubChem CID
- 11694
Properties
Computed structural properties
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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