(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate

C12H23NO2 — CID 14618557

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-9(14)15-10-7-11(2,3)13(6)12(4,5)8-10/h10H,7-8H2,1-6H3
InChIKeyFJZKADZLSJRAQF-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds1

About (1,2,2,6,6-pentamethylpiperidin-4-yl) acetate

(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate (PubChem CID 14618557) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
PubChem CID14618557
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-9(14)15-10-7-11(2,3)13(6)12(4,5)8-10/h10H,7-8H2,1-6H3
InChIKeyFJZKADZLSJRAQF-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) acetate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) acetate (CID 14618557) is (1,2,2,6,6-pentamethylpiperidin-4-yl) acetate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) acetate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) acetate is CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) acetate?
The InChIKey is FJZKADZLSJRAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(14)15-10-7-11(2,3)13(6)12(4,5)8-10/h10H,7-8H2,1-6H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) acetate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate has a molecular weight of 213.32 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) acetate is sourced from PubChem (CID 14618557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).