Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
tert-butyl N-[1-[4-(4-chloro-3-methoxyphenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (HCID 178488266)|Huagongshe
Home
/
Compound
tert-butyl N-[1-[4-(4-chloro-3-methoxyphenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
HCID
178488266
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
COc1cc(C2(O)CCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)C)CC2(C)C)ccc1Cl
InChIKey
IUWIMNLYJSNITJ-UHFFFAOYSA-N
Molecular formula
C24H37ClN2O5
Average molar mass
469 g/mol
Monoisotopic mass
468.2391
Names & identifiers
IUPAC
tert-butyl N-[1-[4-(4-chloro-3-methoxyphenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Database identifiers
PubChem CID
76725367
Properties
Computed structural properties
XLogP
4.4
Topological polar surface area
88.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Formal charge
0
Complexity
678
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
112876
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
Loading…