Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCC2CCNCC2)cc1- InChIKey
XJNLKUXJRBIBOK-UHFFFAOYSA-N- Molecular formula
- C13H19NO3S
- Average molar mass
- 269.36 g/mol
- Monoisotopic mass
- 269.10856464
Names & identifiers
- Preferred name
- (Piperidin-4-yl)methyl 4-methylbenzene-1-sulfonate
- IUPAC
- piperidin-4-ylmethyl 4-methylbenzenesulfonate
Names & synonyms
(piperidin-4-yl)methyl 4-methylbenzene-1-sulfonate121183-21-9SCHEMBL7360511XJNLKUXJRBIBOK-UHFFFAOYSA-N4-(4-methylphenylsulphonyloxymethyl)piperidineEN300-28283211
Database identifiers
- PubChem CID
- 19081872
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Related reactions
1 records
Compound notes
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