1-{3-[(4-Methylpiperidin-1-yl)sulfonyl]phenyl}ethanone
Basic information
- CAS
879906-79-3- Standard SMILES
CC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1- InChIKey
LFNIQIRLKOVGRM-UHFFFAOYSA-N- Molecular formula
- C14H19NO3S
- Average molar mass
- 281.37 g/mol
- Monoisotopic mass
- 281.10856464
Names & identifiers
- Preferred name
- 1-{3-[(4-Methylpiperidin-1-yl)sulfonyl]phenyl}ethanone
- IUPAC
- 1-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
Names & synonyms
879906-79-3Ethanone, 1-[3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-1-{3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}ethanoneSCHEMBL24827604DTXSID401211549STK705233AKOS002233242ST452033841-acetyl-3-[(4-methylpiperidyl)sulfonyl]benzeneZ455421501-[3-(4-Methylpiperidine-1-sulfonyl)phenyl]ethan-1-one1-[3-[(4-Methyl-1-piperidinyl)sulfonyl]phenyl]ethanone
Database identifiers
- CAS
879906-79-3- PubChem CID
- 964705
- DTXSID
DTXSID401211549
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 418
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Related reactions
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Compound notes
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