1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol

C26H45NO2 — CID 18807376

About 1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol

1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol (PubChem CID 18807376) has the molecular formula C26H45NO2 and a molecular weight of 403.65 g/mol. Its IUPAC name is 1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
• PubChem CID: 18807376
• Molecular Formula: C26H45NO2
• Molecular Weight: 403.65 g/mol
• Exact Mass: 403.35
• IUPAC Name: 1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
• SMILES: CC(C)(C)CC(C)(C)c1ccc(OCC(O)CN2C(C)(C)CCCC2(C)C)cc1
• InChI: InChI=1S/C26H45NO2/c1-23(2,3)19-24(4,5)20-11-13-22(14-12-20)29-18-21(28)17-27-25(6,7)15-10-16-26(27,8)9/h11-14,21,28H,10,15-19H2,1-9H3
• InChIKey: QSBFMGKEKZBQIG-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 32.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.65
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol?

The IUPAC name of 1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol (CID 18807376) is 1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol.

What is the SMILES notation for 1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol?

The canonical SMILES for 1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol is CC(C)(C)CC(C)(C)c1ccc(OCC(O)CN2C(C)(C)CCCC2(C)C)cc1.

What is the InChIKey of 1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol?

The InChIKey is QSBFMGKEKZBQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO2/c1-23(2,3)19-24(4,5)20-11-13-22(14-12-20)29-18-21(28)17-27-25(6,7)15-10-16-26(27,8)9/h11-14,21,28H,10,15-19H2,1-9H3.

What are the key properties of 1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol?

1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol has a molecular weight of 403.65 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 18807376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).