tert-Butyl 4-((2-methoxy-5-(2-methyl-2H-tetrazol-5-yl)benzyloxy)methyl)-4-phenylpiperidine-1-carboxylate

HCID 58993454
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Basic information

Standard SMILES
COc1ccc(-c2nnn(C)n2)cc1COCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
InChIKey
NZSHMQHBRJQLJH-UHFFFAOYSA-N
Molecular formula
C27H35N5O4
Average molar mass
493.6 g/mol
Monoisotopic mass
493.26890461

Names & identifiers

Preferred name
tert-Butyl 4-((2-methoxy-5-(2-methyl-2H-tetrazol-5-yl)benzyloxy)methyl)-4-phenylpiperidine-1-carboxylate
IUPAC
tert-butyl 4-[[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylate

Names & synonyms

SCHEMBL13404349NZSHMQHBRJQLJH-UHFFFAOYSA-Ntert-Butyl 4-((2-methoxy-5-(2-methyl-2H-tetrazol-5-yl)benzyloxy)methyl)-4-phenylpiperidine-1-carboxylate

Database identifiers

PubChem CID
58993454

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
91.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
36

Related reactions

4 records
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Compound notes

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