2,2,6,6-Tetramethyl-4-piperidinone
AlkaPlorer ID: AK015141
Synonym: Triacetonamine, Odoratin, Vincubine
IUPAC Name: 2,2,6,6-tetramethylpiperidin-4-one
Structure
SMILES: CC1(C)CC(=O)CC(C)(C)N1
InChI: InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3
InChIKey: JWUXJYZVKZKLTJ-UHFFFAOYSA-N
Reference
PubChem CID: 13220
CAS: 33973-59-0
LOTUS: LTS0239294
SuperNatural Ⅲ: SN0177414
NPASS: NPC133178
COCONUT: CNP0113170
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas oroides | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Acalypha indica | Acalypha | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 155.241
TPSA？: 29.1
MolLogP？: 1.4961
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | H2O2 prot | 0.5 | None | 10.1021/jm9802160 |
| None | ADMET | Radiation prot | 1.1 | None | 10.1021/jm9802160 |
| None | No relevant target | pKa | 7.9 | None | 10.1007/s11095-013-1232-z |