1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol

C21H33NO3 — CID 3412062

About 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol

1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 3412062) has the molecular formula C21H33NO3 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

• Compound Name: 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
• PubChem CID: 3412062
• Molecular Formula: C21H33NO3
• Molecular Weight: 347.50 g/mol
• Exact Mass: 347.25
• IUPAC Name: 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
• SMILES: CC1(C)CC(O)CC(C)(C)N1CC(O)COc1ccc2c(c1)CCC2
• InChI: InChI=1S/C21H33NO3/c1-20(2)11-17(23)12-21(3,4)22(20)13-18(24)14-25-19-9-8-15-6-5-7-16(15)10-19/h8-10,17-18,23-24H,5-7,11-14H2,1-4H3
• InChIKey: QXOGOSIEFJJFNU-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 52.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.50
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?

The IUPAC name of 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol (CID 3412062) is 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol.

What is the SMILES notation for 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?

The canonical SMILES for 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)CC(C)(C)N1CC(O)COc1ccc2c(c1)CCC2.

What is the InChIKey of 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?

The InChIKey is QXOGOSIEFJJFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO3/c1-20(2)11-17(23)12-21(3,4)22(20)13-18(24)14-25-19-9-8-15-6-5-7-16(15)10-19/h8-10,17-18,23-24H,5-7,11-14H2,1-4H3.

What are the key properties of 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?

1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 347.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 3412062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).