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

C14H21NO4 — CID 587717

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate
SMILESCC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1O
InChIInChI=1S/C14H21NO4/c1-13(2)8-10(9-14(3,4)15(13)17)19-12(16)11-6-5-7-18-11/h5-7,10,17H,8-9H2,1-4H3
InChIKeyKMYCKQRDXFVEHQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.85
Rot. Bonds2

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

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate (PubChem CID 587717) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate
PubChem CID587717
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate
SMILESCC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1O
InChIInChI=1S/C14H21NO4/c1-13(2)8-10(9-14(3,4)15(13)17)19-12(16)11-6-5-7-18-11/h5-7,10,17H,8-9H2,1-4H3
InChIKeyKMYCKQRDXFVEHQ-UHFFFAOYSA-N
XLogP2.85
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate (CID 587717) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate is CC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1O.
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate?
The InChIKey is KMYCKQRDXFVEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-13(2)8-10(9-14(3,4)15(13)17)19-12(16)11-6-5-7-18-11/h5-7,10,17H,8-9H2,1-4H3.
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate is sourced from PubChem (CID 587717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).