Benzyl 4-[(2-iodo-4-nitrophenyl)amino]piperidine-1-carboxylate

HCID 57962346
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Basic information

Standard SMILES
O=C(OCc1ccccc1)N1CCC(Nc2ccc([N+](=O)[O-])cc2I)CC1
InChIKey
SCZAFXZNGMXNPX-UHFFFAOYSA-N
Molecular formula
C19H20IN3O4
Average molar mass
481.3 g/mol

Names & identifiers

Preferred name
Benzyl 4-[(2-iodo-4-nitrophenyl)amino]piperidine-1-carboxylate
IUPAC
benzyl 4-(2-iodo-4-nitroanilino)piperidine-1-carboxylate

Names & synonyms

SCHEMBL1025659SCZAFXZNGMXNPX-UHFFFAOYSA-NBenzyl 4-[(2-iodo-4-nitrophenyl)amino]piperidine-1-carboxylate

Database identifiers

PubChem CID
57962346

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
87.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
27

Related reactions

1 records
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Linked notes

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