(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethylhexanoate

C17H33NO2 — CID 14716426

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H33NO2/c1-7-9-10-13(8-2)15(19)20-14-11-16(3,4)18-17(5,6)12-14/h13-14,18H,7-12H2,1-6H3
InChIKeyQWDYTKOMSBCUIQ-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.06
Rot. Bonds6

About (2,2,6,6-tetramethylpiperidin-4-yl) 2-ethylhexanoate

(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethylhexanoate (PubChem CID 14716426) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 2-ethylhexanoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethylhexanoate
PubChem CID14716426
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H33NO2/c1-7-9-10-13(8-2)15(19)20-14-11-16(3,4)18-17(5,6)12-14/h13-14,18H,7-12H2,1-6H3
InChIKeyQWDYTKOMSBCUIQ-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 2-ethylhexanoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 2-ethylhexanoate (CID 14716426) is (2,2,6,6-tetramethylpiperidin-4-yl) 2-ethylhexanoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 2-ethylhexanoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 2-ethylhexanoate is CCCCC(CC)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 2-ethylhexanoate?
The InChIKey is QWDYTKOMSBCUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-7-9-10-13(8-2)15(19)20-14-11-16(3,4)18-17(5,6)12-14/h13-14,18H,7-12H2,1-6H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 2-ethylhexanoate?
(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethylhexanoate has a molecular weight of 283.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 2-ethylhexanoate is sourced from PubChem (CID 14716426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).