Tert-butyl 3-hydroxy-4-[4-(3-phenylsulfanylpropoxy)phenyl]piperidine-1-carboxylate

HCID 54378869
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccc(OCCCSc3ccccc3)cc2)C(O)C1
InChIKey
UYMRDQAXKCINGH-UHFFFAOYSA-N
Molecular formula
C25H33NO4S
Average molar mass
443.6 g/mol
Monoisotopic mass
443.21302971

Names & identifiers

Preferred name
Tert-butyl 3-hydroxy-4-[4-(3-phenylsulfanylpropoxy)phenyl]piperidine-1-carboxylate
IUPAC
tert-butyl 3-hydroxy-4-[4-(3-phenylsulfanylpropoxy)phenyl]piperidine-1-carboxylate

Database identifiers

PubChem CID
54378869

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
84.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
31

Related reactions

1 records
New reaction record

Compound notes

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