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

C13H23NO4 — CID 708860

IUPAC(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CC(C)(C)N(OC(C)=O)C(C)(C)C1
InChIInChI=1S/C13H23NO4/c1-9(15)17-11-7-12(3,4)14(18-10(2)16)13(5,6)8-11/h11H,7-8H2,1-6H3
InChIKeyHTRTWIACWHJYFA-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.05
Rot. Bonds2

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

(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate (PubChem CID 708860) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
PubChem CID708860
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CC(C)(C)N(OC(C)=O)C(C)(C)C1
InChIInChI=1S/C13H23NO4/c1-9(15)17-11-7-12(3,4)14(18-10(2)16)13(5,6)8-11/h11H,7-8H2,1-6H3
InChIKeyHTRTWIACWHJYFA-UHFFFAOYSA-N
XLogP2.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ot-551
CID 10131000
4-Ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
4-methoxy-TEMPO
CID 10313435
CID 573160
CID 573160
1-Acetyl-2,2,6,6-tetramethyl-4-piperidyl acetate
CID 579916
1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl acetate
CID 587880
(4-Butoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl
CID 132559599
4-Methoxy-2,2,6,6-tetramethylpiperidinyl-1-oxy
CID 125323
4-Hexanoyloxy-2,2,6,6-tetramethylpiperadinyl-1-oxy
CID 171502
1-Hydroxy-4-cyclopropanecarbonyloxy-2,2,6,6-tetramethylpiperidine hydrochloride
CID 11482818
CID 52944151
CID 52944151
(1-Hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride
CID 139244695

Frequently Asked Questions

What is the IUPAC name of (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate?
The IUPAC name of (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate (CID 708860) is (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate.
What is the SMILES notation for (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate?
The canonical SMILES for (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate is CC(=O)OC1CC(C)(C)N(OC(C)=O)C(C)(C)C1.
What is the InChIKey of (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate?
The InChIKey is HTRTWIACWHJYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(15)17-11-7-12(3,4)14(18-10(2)16)13(5,6)8-11/h11H,7-8H2,1-6H3.
What are the key properties of (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate?
(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate has a molecular weight of 257.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate is sourced from PubChem (CID 708860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).