Summary

IMPPAT Phytochemical identifier: IMPHY013780

Phytochemical name: 2,2,6,6-Tetramethyl-4-piperidone

Synonymous chemical names:
triacetonamine

External chemical identifiers:
CID:13220, ChEMBL:CHEMBL117614, ZINC:ZINC000001747064, FDASRS:2K4430S3XP, SureChEMBL:SCHEMBL38953, MolPort-000-141-505

---

Chemical structure information

SMILES:
O=C1CC(C)(C)NC(C1)(C)C

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

DeepSMILES:
O=CCCC)C)NCC6)C)C

Functional groups:
CC(C)=O, CNC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCNCC1

Scaffold Graph/Node level:
OC1CCNCC1

Scaffold Graph level:
CC1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Piperidines

ClassyFire Subclass: Piperidinones

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: 0.293

---

Chemical structure download