1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,2,5-trimethylpiperidin-4-one

2.1.2 InChI

InChI=1S/C8H15NO/c1-6-5-9(3)7(2)4-8(6)10/h6-7H,4-5H2,1-3H3

2.1.3 InChI Key

VQHHMWWQNKUPKH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1CC(=O)C(CN1C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 7516-33-8

2. 1,2,5-trimethyl-4-piperidone

3. 4-piperidinone, 1,2,5-trimethyl-

4. 4-piperidone, 1,2,5-trimethyl-

5. Schembl5551944

6. Dtxsid90338768

7. 1,2,5-trimethyl-4-piperidinone

8. 1,2,5-trimethyl-piperidin-4-one

9. Bbl012984

10. Mfcd00480727

11. Stk791098

12. Akos001288152

13. Akos022014396

14. Sb42152

15. Vs-03634

16. 1,2,5-trimethyltetrahydro-4(1h)-pyridinone

17. En300-23868

18. Z166629436

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₅NO
Molecular Weight	141.21 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	20.3
Heavy Atom Count	10
Formal Charge	0
Complexity	144
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 7516-33-8