2-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropan-2-yl]benzoic acid

C20H31NO3 — CID 141206071

IUPAC2-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropan-2-yl]benzoic acid
SMILESCC(C)(CC1CC(C)(C)N(O)C(C)(C)C1)c1ccccc1C(=O)O
InChIInChI=1S/C20H31NO3/c1-18(2,16-10-8-7-9-15(16)17(22)23)11-14-12-19(3,4)21(24)20(5,6)13-14/h7-10,14,24H,11-13H2,1-6H3,(H,22,23)
InChIKeyUSTKQXBWGFEJPT-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.71
Rot. Bonds4

About 2-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropan-2-yl]benzoic acid

2-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropan-2-yl]benzoic acid (PubChem CID 141206071) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 2-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropan-2-yl]benzoic acid
PubChem CID141206071
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name2-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropan-2-yl]benzoic acid
SMILESCC(C)(CC1CC(C)(C)N(O)C(C)(C)C1)c1ccccc1C(=O)O
InChIInChI=1S/C20H31NO3/c1-18(2,16-10-8-7-9-15(16)17(22)23)11-14-12-19(3,4)21(24)20(5,6)13-14/h7-10,14,24H,11-13H2,1-6H3,(H,22,23)
InChIKeyUSTKQXBWGFEJPT-UHFFFAOYSA-N
XLogP4.71
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropan-2-yl]benzoic acid?
The IUPAC name of 2-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropan-2-yl]benzoic acid (CID 141206071) is 2-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropan-2-yl]benzoic acid.
What is the SMILES notation for 2-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropan-2-yl]benzoic acid?
The canonical SMILES for 2-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropan-2-yl]benzoic acid is CC(C)(CC1CC(C)(C)N(O)C(C)(C)C1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropan-2-yl]benzoic acid?
The InChIKey is USTKQXBWGFEJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-18(2,16-10-8-7-9-15(16)17(22)23)11-14-12-19(3,4)21(24)20(5,6)13-14/h7-10,14,24H,11-13H2,1-6H3,(H,22,23).
What are the key properties of 2-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropan-2-yl]benzoic acid?
2-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropan-2-yl]benzoic acid has a molecular weight of 333.47 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropan-2-yl]benzoic acid is sourced from PubChem (CID 141206071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).