Basic information
- Standard SMILES
CSc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1- InChIKey
AJJXCPOSNVIOND-UHFFFAOYSA-N- Molecular formula
- C17H26N2O2S
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.17149925
Names & identifiers
- Preferred name
- 1-(Tert-butoxycarbonyl)-4-[[4-(methylthio)phenyl]amino]piperidine
- IUPAC
- tert-butyl 4-(4-methylsulfanylanilino)piperidine-1-carboxylate
Names & synonyms
SCHEMBL4108360AJJXCPOSNVIOND-UHFFFAOYSA-NAKOS0408090501-(tert-butoxycarbonyl)-4-[[4-(methylthio)phenyl]amino]piperidinetert-butyl 4-{[4-(methylsulfanyl)phenyl]amino}piperidine-1-carboxylate4-(4-methylsulfanyl-phenylamino)-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 22558035
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 354
Related reactions
13 records
Compound notes
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