2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid

C17H23NO4 — CID 5194167

IUPAC2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid
SMILESCC1(C)CC(OC(=O)c2ccccc2C(=O)O)CC(C)(C)N1
InChIInChI=1S/C17H23NO4/c1-16(2)9-11(10-17(3,4)18-16)22-15(21)13-8-6-5-7-12(13)14(19)20/h5-8,11,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyRJJUFOQAFOUPOH-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.85
Rot. Bonds3

About 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid

2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid (PubChem CID 5194167) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid
PubChem CID5194167
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid
SMILESCC1(C)CC(OC(=O)c2ccccc2C(=O)O)CC(C)(C)N1
InChIInChI=1S/C17H23NO4/c1-16(2)9-11(10-17(3,4)18-16)22-15(21)13-8-6-5-7-12(13)14(19)20/h5-8,11,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyRJJUFOQAFOUPOH-UHFFFAOYSA-N
XLogP2.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid?
The IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid (CID 5194167) is 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid.
What is the SMILES notation for 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid?
The canonical SMILES for 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid is CC1(C)CC(OC(=O)c2ccccc2C(=O)O)CC(C)(C)N1.
What is the InChIKey of 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid?
The InChIKey is RJJUFOQAFOUPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-16(2)9-11(10-17(3,4)18-16)22-15(21)13-8-6-5-7-12(13)14(19)20/h5-8,11,18H,9-10H2,1-4H3,(H,19,20).
What are the key properties of 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid?
2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid has a molecular weight of 305.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid is sourced from PubChem (CID 5194167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).