2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-tert-butyl-4-methylpentanoate

C21H41NO2 — CID 153363503

IUPAC2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-tert-butyl-4-methylpentanoate
SMILESCC(C)CC(C(=O)OCCN1C(C)(C)CCCC1(C)C)C(C)(C)C
InChIInChI=1S/C21H41NO2/c1-16(2)15-17(19(3,4)5)18(23)24-14-13-22-20(6,7)11-10-12-21(22,8)9/h16-17H,10-15H2,1-9H3
InChIKeyWHQVGCVOBCQFRQ-UHFFFAOYSA-N
MW339.56 g/mol
LogP5.28
Rot. Bonds6

About 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-tert-butyl-4-methylpentanoate

2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-tert-butyl-4-methylpentanoate (PubChem CID 153363503) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-tert-butyl-4-methylpentanoate.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-tert-butyl-4-methylpentanoate
PubChem CID153363503
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-tert-butyl-4-methylpentanoate
SMILESCC(C)CC(C(=O)OCCN1C(C)(C)CCCC1(C)C)C(C)(C)C
InChIInChI=1S/C21H41NO2/c1-16(2)15-17(19(3,4)5)18(23)24-14-13-22-20(6,7)11-10-12-21(22,8)9/h16-17H,10-15H2,1-9H3
InChIKeyWHQVGCVOBCQFRQ-UHFFFAOYSA-N
XLogP5.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-tert-butyl-4-methylpentanoate?
The IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-tert-butyl-4-methylpentanoate (CID 153363503) is 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-tert-butyl-4-methylpentanoate.
What is the SMILES notation for 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-tert-butyl-4-methylpentanoate?
The canonical SMILES for 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-tert-butyl-4-methylpentanoate is CC(C)CC(C(=O)OCCN1C(C)(C)CCCC1(C)C)C(C)(C)C.
What is the InChIKey of 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-tert-butyl-4-methylpentanoate?
The InChIKey is WHQVGCVOBCQFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c1-16(2)15-17(19(3,4)5)18(23)24-14-13-22-20(6,7)11-10-12-21(22,8)9/h16-17H,10-15H2,1-9H3.
What are the key properties of 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-tert-butyl-4-methylpentanoate?
2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-tert-butyl-4-methylpentanoate has a molecular weight of 339.56 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-tert-butyl-4-methylpentanoate is sourced from PubChem (CID 153363503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).