Piperidine, 1-ethyl-4-[3-fluoro-5-(methylsulfonyl)phenyl]-, hydrochloride (1:1)
Basic information
- CAS
883552-32-7- Standard SMILES
CCN1CCC(c2cc(F)cc(S(C)(=O)=O)c2)CC1.Cl- InChIKey
NUNKEHBWMHUSCQ-UHFFFAOYSA-N- Molecular formula
- C14H21ClFNO2S
- Average molar mass
- 321.8 g/mol
- Monoisotopic mass
- 321.0965559
Names & identifiers
- Preferred name
- Piperidine, 1-ethyl-4-[3-fluoro-5-(methylsulfonyl)phenyl]-, hydrochloride (1:1)
- IUPAC
- 1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine;hydrochloride
Names & synonyms
SCHEMBL1010113DTXSID201379597883552-32-7Piperidine, 1-ethyl-4-[3-fluoro-5-(methylsulfonyl)phenyl]-, hydrochloride (1:1)
Database identifiers
- CAS
883552-32-7- PubChem CID
- 53379487
- DTXSID
DTXSID201379597- EC Number
- 618-149-0
Properties
Computed structural properties
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…