2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid

C17H23NO5 — CID 7304442

IUPAC2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid
SMILESCC1(C)CC(OC(=O)c2ccccc2C(=O)O)CC(C)(C)N1O
InChIInChI=1S/C17H23NO5/c1-16(2)9-11(10-17(3,4)18(16)22)23-15(21)13-8-6-5-7-12(13)14(19)20/h5-8,11,22H,9-10H2,1-4H3,(H,19,20)
InChIKeyUMOCEKOAAUONLH-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.95
Rot. Bonds3

About 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid

2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid (PubChem CID 7304442) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid.

Molecular Properties

Compound Name2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid
PubChem CID7304442
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid
SMILESCC1(C)CC(OC(=O)c2ccccc2C(=O)O)CC(C)(C)N1O
InChIInChI=1S/C17H23NO5/c1-16(2)9-11(10-17(3,4)18(16)22)23-15(21)13-8-6-5-7-12(13)14(19)20/h5-8,11,22H,9-10H2,1-4H3,(H,19,20)
InChIKeyUMOCEKOAAUONLH-UHFFFAOYSA-N
XLogP2.95
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid?
The IUPAC name of 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid (CID 7304442) is 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid.
What is the SMILES notation for 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid?
The canonical SMILES for 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid is CC1(C)CC(OC(=O)c2ccccc2C(=O)O)CC(C)(C)N1O.
What is the InChIKey of 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid?
The InChIKey is UMOCEKOAAUONLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-16(2)9-11(10-17(3,4)18(16)22)23-15(21)13-8-6-5-7-12(13)14(19)20/h5-8,11,22H,9-10H2,1-4H3,(H,19,20).
What are the key properties of 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid?
2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid has a molecular weight of 321.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid is sourced from PubChem (CID 7304442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).