Basic information
- CAS
62270-73-9- Standard SMILES
CC(=O)C1(c2cccc(Cl)c2)CC[NH+](CCC[NH+]2CCCCC2)CC1.[Cl-].[Cl-]- InChIKey
YRXZZAPDLBNZSQ-UHFFFAOYSA-N- Molecular formula
- C21H33Cl3N2O
- Average molar mass
- 435.9 g/mol
- Monoisotopic mass
- 434.165847
Names & identifiers
- Preferred name
- Ethanone, 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]ethanone dichloride
Names & synonyms
Ethanone, 1-(4-(3-chlorophenyl)-1-(3-(1-piperidinyl)propyl)-4-piperidinyl)-, dihydrochloride1-(4-(3-Chlorophenyl)-1-(3-(1-piperidinyl)propyl)-4-piperidinyl)ethanone dihydrochloride62270-73-9RefChem:341170
Database identifiers
- CAS
62270-73-9- PubChem CID
- 43977
Properties
Computed structural properties
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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