tert-butyl (R)-1-((3S,4S)-4-(4-chlorophenyl)-3,4-dihydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamate

HCID 67968434
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Basic information

Standard SMILES
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)[C@@](C)(O)C1
InChIKey
QDNRAAYPOFDXFQ-WTNAPCKOSA-N
Molecular formula
C22H33ClN2O5
Average molar mass
441 g/mol

Names & identifiers

Preferred name
tert-butyl (R)-1-((3S,4S)-4-(4-chlorophenyl)-3,4-dihydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamate
IUPAC
tert-butyl N-[(2R)-1-[(3S,4S)-4-(4-chlorophenyl)-3,4-dihydroxy-3-methylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Names & synonyms

SCHEMBL9927489QDNRAAYPOFDXFQ-WTNAPCKOSA-Ntert-butyl (R)-1-((3S,4S)-4-(4-chlorophenyl)-3,4-dihydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamate

Database identifiers

PubChem CID
67968434

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
99.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
30

Related reactions

1 records
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Compound notes

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