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

C13H23NO3 — CID 579916

IUPAC(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1
InChIInChI=1S/C13H23NO3/c1-9(15)14-12(3,4)7-11(17-10(2)16)8-13(14,5)6/h11H,7-8H2,1-6H3
InChIKeyJQGBDRJGBHLNFA-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.12
Rot. Bonds1

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

(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) acetate (PubChem CID 579916) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) acetate
PubChem CID579916
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1
InChIInChI=1S/C13H23NO3/c1-9(15)14-12(3,4)7-11(17-10(2)16)8-13(14,5)6/h11H,7-8H2,1-6H3
InChIKeyJQGBDRJGBHLNFA-UHFFFAOYSA-N
XLogP2.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) acetate?
The IUPAC name of (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) acetate (CID 579916) is (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) acetate.
What is the SMILES notation for (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) acetate?
The canonical SMILES for (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) acetate is CC(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1.
What is the InChIKey of (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) acetate?
The InChIKey is JQGBDRJGBHLNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(15)14-12(3,4)7-11(17-10(2)16)8-13(14,5)6/h11H,7-8H2,1-6H3.
What are the key properties of (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) acetate?
(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) acetate has a molecular weight of 241.33 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) acetate is sourced from PubChem (CID 579916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).