(4-hydroxyimino-2,2,6,6-tetramethylpiperidin-1-yl) furan-2-carboxylate

C14H20N2O4 — CID 565747

IUPAC(4-hydroxyimino-2,2,6,6-tetramethylpiperidin-1-yl) furan-2-carboxylate
SMILESCC1(C)CC(=NO)CC(C)(C)N1OC(=O)c1ccco1
InChIInChI=1S/C14H20N2O4/c1-13(2)8-10(15-18)9-14(3,4)16(13)20-12(17)11-6-5-7-19-11/h5-7,18H,8-9H2,1-4H3
InChIKeyUCZNAAFJAOBLCU-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.83
Rot. Bonds2

About (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-1-yl) furan-2-carboxylate

(4-hydroxyimino-2,2,6,6-tetramethylpiperidin-1-yl) furan-2-carboxylate (PubChem CID 565747) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-1-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(4-hydroxyimino-2,2,6,6-tetramethylpiperidin-1-yl) furan-2-carboxylate
PubChem CID565747
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(4-hydroxyimino-2,2,6,6-tetramethylpiperidin-1-yl) furan-2-carboxylate
SMILESCC1(C)CC(=NO)CC(C)(C)N1OC(=O)c1ccco1
InChIInChI=1S/C14H20N2O4/c1-13(2)8-10(15-18)9-14(3,4)16(13)20-12(17)11-6-5-7-19-11/h5-7,18H,8-9H2,1-4H3
InChIKeyUCZNAAFJAOBLCU-UHFFFAOYSA-N
XLogP2.83
TPSA75.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-1-yl) furan-2-carboxylate?
The IUPAC name of (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-1-yl) furan-2-carboxylate (CID 565747) is (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-1-yl) furan-2-carboxylate.
What is the SMILES notation for (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-1-yl) furan-2-carboxylate?
The canonical SMILES for (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-1-yl) furan-2-carboxylate is CC1(C)CC(=NO)CC(C)(C)N1OC(=O)c1ccco1.
What is the InChIKey of (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-1-yl) furan-2-carboxylate?
The InChIKey is UCZNAAFJAOBLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-13(2)8-10(15-18)9-14(3,4)16(13)20-12(17)11-6-5-7-19-11/h5-7,18H,8-9H2,1-4H3.
What are the key properties of (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-1-yl) furan-2-carboxylate?
(4-hydroxyimino-2,2,6,6-tetramethylpiperidin-1-yl) furan-2-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-1-yl) furan-2-carboxylate is sourced from PubChem (CID 565747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).