Basic information
- CAS
62270-75-1- Standard SMILES
CCCC(=O)C1(c2cccc(Cl)c2)CC[NH+](CCC[NH+]2CCCCC2)CC1.[Cl-].[Cl-]- InChIKey
LLCPGHQEJAOTHZ-UHFFFAOYSA-N- Molecular formula
- C23H37Cl3N2O
- Average molar mass
- 463.9 g/mol
- Monoisotopic mass
- 462.197147
Names & identifiers
- Preferred name
- 1-Butanone, 1-(4-(3-chlorophenyl)-1-(3-(1-piperidinyl)propyl)-4-piperidinyl)-, dihydrochloride
- IUPAC
- 1-[4-(3-chlorophenyl)-1-(3-piperidin-1-ium-1-ylpropyl)piperidin-1-ium-4-yl]butan-1-one dichloride
Names & synonyms
1-Butanone, 1-(4-(3-chlorophenyl)-1-(3-(1-piperidinyl)propyl)-4-piperidinyl)-, dihydrochloride62270-75-11-(4-(3-Chlorophenyl)-1-(3-(1-piperidinyl)propyl)-4-piperidinyl)-1-butanone dihydrochlorideRefChem:228836
Database identifiers
- CAS
62270-75-1- PubChem CID
- 43979
Properties
Computed structural properties
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…