1-(4-Benzylpiperidin-1-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone
Basic information
- CAS
428487-31-4- Standard SMILES
O=C(CSCc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1- InChIKey
REJOKQZOZMEILU-UHFFFAOYSA-N- Molecular formula
- C21H24ClNOS
- Average molar mass
- 373.9 g/mol
- Monoisotopic mass
- 373.1267133
Names & identifiers
- Preferred name
- 1-(4-Benzylpiperidin-1-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone
- IUPAC
- 1-(4-benzylpiperidin-1-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone
Names & synonyms
428487-31-4DTXSID9011430321-(4-benzylpiperidin-1-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone2-[[(4-Chlorophenyl)methyl]thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone4-benzyl-1-{[(4-chlorobenzyl)thio]acetyl}piperidine1-(4-Benzylpiperidin-1-yl)-2-{[(4-chlorophenyl)methyl]sulfanyl}ethan-1-one
Database identifiers
- CAS
428487-31-4- PubChem CID
- 2278720
- DTXSID
DTXSID901143032
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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