tert-Butyl 4-((pyridin-4-ylthio)methyl)piperidine-1-carboxylate
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Basic information
- CAS
1353967-26-6- Standard SMILES
CC(C)(C)OC(=O)N1CCC(CSc2ccncc2)CC1- InChIKey
IPFVWDYWKMEYMT-UHFFFAOYSA-N- Molecular formula
- C16H24N2O2S
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.15584919
Names & identifiers
- Preferred name
- tert-Butyl 4-((pyridin-4-ylthio)methyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(pyridin-4-ylsulfanylmethyl)piperidine-1-carboxylate
- English name
- 4-(Pyridin-4-ylsulfanylmethyl)-piperidine-1-carboxylic acid tert-butyl ester
- Molecular formula
- C16H24N2O2S
- Molecular weight
- 308.44
Names & synonyms
1353967-26-6tert-Butyl 4-((pyridin-4-ylthio)methyl)piperidine-1-carboxylatetert-butyl 4-(pyridin-4-ylsulfanylmethyl)piperidine-1-carboxylate4-(Pyridin-4-ylsulfanylmethyl)-piperidine-1-carboxylic acid tert-butyl esterAKOS024463154DB-252841tert-Butyl4-((pyridin-4-ylthio)methyl)piperidine-1-carboxylate4-(Pyridin-4-ylsulfanylmethyl)-piperidine-1-carboxylic acid tert-butylester1-Piperidinecarboxylic acid, 4-[(4-pyridinylthio)methyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1353967-26-6- PubChem CID
- 71303198
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
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Compound notes
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