(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate

C11H21NO3 — CID 587880

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C11H21NO3/c1-8(13)15-9-6-10(2,3)12(14)11(4,5)7-9/h9,14H,6-7H2,1-5H3
InChIKeyCRGBPDJWOLULDY-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.96
Rot. Bonds1

About (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate (PubChem CID 587880) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
PubChem CID587880
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C11H21NO3/c1-8(13)15-9-6-10(2,3)12(14)11(4,5)7-9/h9,14H,6-7H2,1-5H3
InChIKeyCRGBPDJWOLULDY-UHFFFAOYSA-N
XLogP1.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate (CID 587880) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate is CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate?
The InChIKey is CRGBPDJWOLULDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(13)15-9-6-10(2,3)12(14)11(4,5)7-9/h9,14H,6-7H2,1-5H3.
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate has a molecular weight of 215.29 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate is sourced from PubChem (CID 587880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).