2-[4-(1,3-benzodioxol-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]-5-methoxyphenol

C28H33N3O4 — CID 137307343

About 2-[4-(1,3-benzodioxol-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]-5-methoxyphenol

2-[4-(1,3-benzodioxol-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]-5-methoxyphenol (PubChem CID 137307343) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]-5-methoxyphenol.

Molecular Properties

• Compound Name: 2-[4-(1,3-benzodioxol-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]-5-methoxyphenol
• PubChem CID: 137307343
• Molecular Formula: C28H33N3O4
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.25
• IUPAC Name: 2-[4-(1,3-benzodioxol-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]-5-methoxyphenol
• SMILES: COc1ccc(-c2cc(-c3cccc4c3OCO4)cc(NC3CC(C)(C)NC(C)(C)C3)n2)c(O)c1
• InChI: InChI=1S/C28H33N3O4/c1-27(2)14-18(15-28(3,4)31-27)29-25-12-17(20-7-6-8-24-26(20)35-16-34-24)11-22(30-25)21-10-9-19(33-5)13-23(21)32/h6-13,18,31-32H,14-16H2,1-5H3,(H,29,30)
• InChIKey: GGRNTVMRBGSGOJ-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 84.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]-5-methoxyphenol?

The IUPAC name of 2-[4-(1,3-benzodioxol-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]-5-methoxyphenol (CID 137307343) is 2-[4-(1,3-benzodioxol-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]-5-methoxyphenol.

What is the SMILES notation for 2-[4-(1,3-benzodioxol-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]-5-methoxyphenol?

The canonical SMILES for 2-[4-(1,3-benzodioxol-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]-5-methoxyphenol is COc1ccc(-c2cc(-c3cccc4c3OCO4)cc(NC3CC(C)(C)NC(C)(C)C3)n2)c(O)c1.

What is the InChIKey of 2-[4-(1,3-benzodioxol-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]-5-methoxyphenol?

The InChIKey is GGRNTVMRBGSGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-27(2)14-18(15-28(3,4)31-27)29-25-12-17(20-7-6-8-24-26(20)35-16-34-24)11-22(30-25)21-10-9-19(33-5)13-23(21)32/h6-13,18,31-32H,14-16H2,1-5H3,(H,29,30).

What are the key properties of 2-[4-(1,3-benzodioxol-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]-5-methoxyphenol?

2-[4-(1,3-benzodioxol-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]-5-methoxyphenol has a molecular weight of 475.59 g/mol, XLogP of 5.58, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1,3-benzodioxol-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]-5-methoxyphenol is sourced from PubChem (CID 137307343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).