1-(Tert-butoxycarbonyl)-4-[[4-(methylthio)phenyl]amino]piperidine

HCID 22558035

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

Related reactions

13 records

Compound notes

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