tert-Butyl 4-((3-bromo-5-nitrobenzyloxy)methyl)-4-phenylpiperidine-1-carboxylate

HCID 58993455
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(COCc2cc(Br)cc([N+](=O)[O-])c2)(c2ccccc2)CC1
InChIKey
SSHZYXUPYYJHSE-UHFFFAOYSA-N
Molecular formula
C24H29BrN2O5
Average molar mass
505.4 g/mol
Monoisotopic mass
504.12598

Names & identifiers

Preferred name
tert-Butyl 4-((3-bromo-5-nitrobenzyloxy)methyl)-4-phenylpiperidine-1-carboxylate
IUPAC
tert-butyl 4-[(3-bromo-5-nitrophenyl)methoxymethyl]-4-phenylpiperidine-1-carboxylate

Names & synonyms

SCHEMBL13404475SSHZYXUPYYJHSE-UHFFFAOYSA-Ntert-Butyl 4-((3-bromo-5-nitrobenzyloxy)methyl)-4-phenylpiperidine-1-carboxylate

Database identifiers

PubChem CID
58993455

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
84.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
32

Related reactions

4 records
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Compound notes

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