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Tempidon

PubChem CID: 13220

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Compound Synonyms Triacetonamine, 826-36-8, 2,2,6,6-Tetramethyl-4-piperidone, 2,2,6,6-tetramethylpiperidin-4-one, Triacetonamin, Triacetone amine, Vincubine, 2,2,6,6-Tetramethyl-4-piperidinone, Vincubina, Tempidon, Trojacetonoaminy, 2,2,6,6-Tetramethyl-4-oxopiperidine, 4-Piperidinone, 2,2,6,6-tetramethyl-, 2,2,6,6-Tetramethylpiperidone, Odoratine, 4-Oxo-2,2,6,6-tetramethylpiperidine, 2,2,6,6-Tetramethylpiperidinone, TMPone, Trojacetonoaminy [Polish], Tetramethylpiperidinone, NSC 16579, Triacetoneamine, 2,2,6,6-Tetramethyl-piperidin-4-one, 4-Oxo-2,2,6,6-tetramethyl-4-piperidone, EINECS 212-554-2, 4-PIPERIDONE, 2,2,6,6-TETRAMETHYL-, BRN 0112665, DTXSID4041527, 2K4430S3XP, NSC-16579, IKH-19, DTXCID2021527, JWUXJYZVKZKLTJ-UHFFFAOYSA-, EC 212-554-2, 5-21-06-00538 (Beilstein Handbook Reference), 4-OXO-2,2,6,6-TETRAMETHYLPIPERIDINE (D17, 15N), UNII-2K4430S3XP, Odoratin?, Ikh 196, Oprea1_386573, SCHEMBL38953, 2,2,6,6-tetramethylpiperidone-4-toluene-p- sulfonate, CHEMBL117614, 2,6,6-Tetramethyl-4-piperidone, CHEBI:177813, 2,6,6-Tetramethyl-4-piperidinone, 2,2,6,6-teramethyl-4-piperidone, HY-N1131, NSC16579, STR06804, 2,2,6,6-Tetramethyl-g-piperidone, 2,6,6-Tetramethyl-4-oxopiperidine, Tox21_300816, 2,2,6,6-Tetramethyl-4 piperidone, CCG-44306, MFCD00005975, STK256617, AKOS000120903, AC-2702, SB74533, 2,2,6, 6-Tetramethyl-4-piperidinone, NCGC00248182-01, NCGC00248182-02, NCGC00254720-01, CAS-826-36-8, DA-60001, piperidine, 2,2,6,6-tetramethyl-4-oxo-, 2,2,6,6-Tetramethyl-4-piperidone, 95%, TO0127900, CS-0016419, NS00008501, S4859, T1424, EN300-18105, P19976, AB00375601-03, Q6120732, SR-01000634150-1, F8889-5387, Z1250100692, 212-554-2
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 29.1
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCCCC1
Np Classifier Class Piperidine alkaloids
Deep Smiles O=CCCC)C)NCC6)C)C
Heavy Atom Count 11.0
Classyfire Class Piperidines
Scaffold Graph Node Level OC1CCNCC1
Classyfire Subclass Piperidinones
Isotope Atom Count 0.0
Molecular Complexity 164.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2,2,6,6-tetramethylpiperidin-4-one
Prediction Hob 1.0
Class Piperidines
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Xlogp 0.5
Superclass Organoheterocyclic compounds
Subclass Piperidinones
Gsk 4 400 Rule True
Molecular Formula C9H17NO
Scaffold Graph Node Bond Level O=C1CCNCC1
Prediction Swissadme 0.0
Inchi Key JWUXJYZVKZKLTJ-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.8888888888888888
Logs 0.862
Rotatable Bond Count 0.0
State Solid
Logd -0.661
Synonyms 2,2,6, 6-Tetramethyl-4-piperidinone, 2,2,6,6-Tetramethyl-4-oxopiperidine, 2,2,6,6-Tetramethyl-4-piperidone, 2,2,6,6-Tetramethyl-g-piperidone, 2,2,6,6-Tetramethylpiperidin-4-one, 2,2,6,6-Tetramethylpiperidinone, 2,2,6,6-Tetramethylpiperidone, 2,2,6,6-Tetramethylpiperidone-4-toluene-p- sulfonate, 4-oxo-2,2,6,6-Tetramethyl-4-piperidone, 4-oxo-2,2,6,6-Tetramethylpiperidine, Odoratin?, Odoratine, Tempidon, Tmpone, Triacetonamin, Triacetonamine, Triacetone amine, Triacetoneamine, Trojacetonoaminy, Vincubina, Vincubine, Tempidon hydrochloride, Tempidon 4-methylbenzenesulfonate, Tempidon sulfate, 2,2,6,6-Tetramethylpiperidone-4-toluene-p-sulfonate, triacetonamine
Esol Class Very soluble
Functional Groups CC(C)=O, CNC
Compound Name Tempidon
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 155.131
Formal Charge 0.0
Monoisotopic Mass 155.131
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 155.24
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic heteromonocyclic compounds
Lipinski Rule Of 5 True
Esol -1.1111942000000001
Inchi InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3
Smiles CC1(CC(=O)CC(N1)(C)C)C
Nring 1.0
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Piperidinones
Np Classifier Superclass Lysine alkaloids

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