2,6-Dimethyl-1-(phenylsulfonyl)piperidine
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Basic information
- CAS
305374-40-7- Standard SMILES
CC1CCCC(C)N1S(=O)(=O)c1ccccc1- InChIKey
JINDARNDFYFWDT-UHFFFAOYSA-N- Molecular formula
- C13H19NO2S
- Average molar mass
- 253.36 g/mol
- Monoisotopic mass
- 253.11365002
Names & identifiers
- Preferred name
- 2,6-Dimethyl-1-(phenylsulfonyl)piperidine
- IUPAC
- 1-(benzenesulfonyl)-2,6-dimethylpiperidine
- English name
- 2,6-dimethyl-1-(phenylsulfonyl)piperidine
- Molecular formula
- C13H19NO2S
- Molecular weight
- 253.36
Names & synonyms
2,6-dimethyl-1-(phenylsulfonyl)piperidine1-(benzenesulfonyl)-2,6-dimethylpiperidineHMS1672K15AKOS000536918AKOS016323536PD179459ST060624AQ-390/12344715SR-01000454262SR-01000454262-1Piperidine, 2,6-dimethyl-1-(phenylsulfonyl)-
Database identifiers
- CAS
305374-40-7- PubChem CID
- 3127957
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Boiling point
- 367.5 · 367.5±25.0 °C(Predicted)
- Density
- 1.127 · 1.127±0.06 g/cm3(Predicted)
- pka
- -4.61 · -4.61±0.60(Predicted)
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Compound notes
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