Basic information
- CAS
62270-79-5- Standard SMILES
CCCC(=O)C1(c2cccc(Cl)c2)CC[NH+](CCC[NH+]2CCOCC2)CC1.[Cl-].[Cl-]- InChIKey
MKVBRUIECRNBAA-UHFFFAOYSA-N- Molecular formula
- C22H35Cl3N2O2
- Average molar mass
- 465.9 g/mol
- Monoisotopic mass
- 464.176411
Names & identifiers
- Preferred name
- 1-Butanone, 1-(4-(3-chlorophenyl)-1-(3-(4-morpholinyl)propyl)-4-piperidinyl)-, dihydrochloride
- IUPAC
- 1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-yl]butan-1-one dichloride
Names & synonyms
1-Butanone, 1-(4-(3-chlorophenyl)-1-(3-(4-morpholinyl)propyl)-4-piperidinyl)-, dihydrochloride62270-79-51-(4-(3-Chlorophenyl)-1-(3-(4-morpholinyl)propyl)-4-piperidinyl)-1-butanone dihydrochlorideRefChem:228838
Database identifiers
- CAS
62270-79-5- PubChem CID
- 43983
Properties
Computed structural properties
- Topological polar surface area
- 35.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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