Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
3,3-dimethyl-5-[4-[(1-naphthalen-1-ylethylamino)methyl]-3-phenylpiperidin-1-yl]-5-oxopentanoic acid (HCID 178463733)|Huagongshe
Home
/
Compound
3,3-dimethyl-5-[4-[(1-naphthalen-1-ylethylamino)methyl]-3-phenylpiperidin-1-yl]-5-oxopentanoic acid
HCID
178463733
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CC(NCC1CCN(C(=O)CC(C)(C)CC(=O)O)CC1c1ccccc1)c1cccc2ccccc12
InChIKey
KUYBCLHOAPWBLB-UHFFFAOYSA-N
Molecular formula
C31H38N2O3
Average molar mass
486.6 g/mol
Monoisotopic mass
486.28824308
Names & identifiers
IUPAC
3,3-dimethyl-5-[4-[(1-naphthalen-1-ylethylamino)methyl]-3-phenylpiperidin-1-yl]-5-oxopentanoic acid
Database identifiers
PubChem CID
72535992
Properties
Computed structural properties
XLogP
2.9
Topological polar surface area
69.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
36
Formal charge
0
Complexity
731
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
2160118
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
Loading…