(2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate

C15H23NO4 — CID 142832127

IUPAC(2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate
SMILESCCC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1O
InChIInChI=1S/C15H23NO4/c1-5-15(4)10-11(9-14(2,3)16(15)18)20-13(17)12-7-6-8-19-12/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyNPMNYYGHZKJYSI-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.24
Rot. Bonds3

About (2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate

(2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate (PubChem CID 142832127) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate
PubChem CID142832127
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate
SMILESCCC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1O
InChIInChI=1S/C15H23NO4/c1-5-15(4)10-11(9-14(2,3)16(15)18)20-13(17)12-7-6-8-19-12/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyNPMNYYGHZKJYSI-UHFFFAOYSA-N
XLogP3.24
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate?
The IUPAC name of (2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate (CID 142832127) is (2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate.
What is the SMILES notation for (2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate?
The canonical SMILES for (2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate is CCC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1O.
What is the InChIKey of (2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate?
The InChIKey is NPMNYYGHZKJYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-15(4)10-11(9-14(2,3)16(15)18)20-13(17)12-7-6-8-19-12/h6-8,11,18H,5,9-10H2,1-4H3.
What are the key properties of (2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate?
(2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate has a molecular weight of 281.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate is sourced from PubChem (CID 142832127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).