2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate

C22H41NO3 — CID 123960864

IUPAC2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate
SMILESCC(C)C(=O)CCC(=O)OCCN1C(C)(C)CC(C(C)(C)C)CC1(C)C
InChIInChI=1S/C22H41NO3/c1-16(2)18(24)10-11-19(25)26-13-12-23-21(6,7)14-17(20(3,4)5)15-22(23,8)9/h16-17H,10-15H2,1-9H3
InChIKeyNZIGNZDUBYLLIH-UHFFFAOYSA-N
MW367.57 g/mol
LogP4.85
Rot. Bonds7

About 2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate

2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate (PubChem CID 123960864) has the molecular formula C22H41NO3 and a molecular weight of 367.57 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate.

Molecular Properties

Compound Name2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate
PubChem CID123960864
Molecular FormulaC22H41NO3
Molecular Weight367.57 g/mol
Exact Mass367.31
IUPAC Name2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate
SMILESCC(C)C(=O)CCC(=O)OCCN1C(C)(C)CC(C(C)(C)C)CC1(C)C
InChIInChI=1S/C22H41NO3/c1-16(2)18(24)10-11-19(25)26-13-12-23-21(6,7)14-17(20(3,4)5)15-22(23,8)9/h16-17H,10-15H2,1-9H3
InChIKeyNZIGNZDUBYLLIH-UHFFFAOYSA-N
XLogP4.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen
CID 159289923
2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate
CID 146366977
4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate
CID 22900076
2-[2-[2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate
CID 135302835
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate
CID 91484074
2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-tert-butyl-4-methylpentanoate
CID 153363503
4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl but-2-enedioate
CID 123594724
4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate
CID 157159516
1-(azetidin-1-yl)-4-methylpentan-3-one
CID 131213332
2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethyl-4-[[1-oxo-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]amino]piperidin-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 87989189
diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 67825631
(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate
CID 145189321

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate?
The IUPAC name of 2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate (CID 123960864) is 2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate.
What is the SMILES notation for 2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate?
The canonical SMILES for 2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate is CC(C)C(=O)CCC(=O)OCCN1C(C)(C)CC(C(C)(C)C)CC1(C)C.
What is the InChIKey of 2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate?
The InChIKey is NZIGNZDUBYLLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO3/c1-16(2)18(24)10-11-19(25)26-13-12-23-21(6,7)14-17(20(3,4)5)15-22(23,8)9/h16-17H,10-15H2,1-9H3.
What are the key properties of 2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate?
2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate has a molecular weight of 367.57 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate is sourced from PubChem (CID 123960864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).