Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccc(COc3ccc(S(C)(=O)=O)cc3)nc2)CC1- InChIKey
MJXCETVNTLQOSY-UHFFFAOYSA-N- Molecular formula
- C23H30N2O5S
- Average molar mass
- 446.6 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-[2-(4-methanesulfonyl-phenoxymethyl)pyridin-5-yl]piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[6-[(4-methylsulfonylphenoxy)methyl]-3-pyridinyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL1577926MJXCETVNTLQOSY-UHFFFAOYSA-Ntert-Butyl 4-[2-(4-methanesufonylphenoxymethyl)-pyridin-5-yl]piperidine-1-carboxylatetert-butyl 4-[2-(4-methanesulfonyl-phenoxymethyl)pyridin-5-yl]piperidine-1-carboxylatetert-butyl 4-[2-(4-methanesulfonylphenoxymethyl)pyridin-5-yl]piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 44819975
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 684
Related reactions
7 records
Compound notes
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