bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate

C35H65N3O6 — CID 129281730

About bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate (PubChem CID 129281730) has the molecular formula C35H65N3O6 and a molecular weight of 623.92 g/mol. Its IUPAC name is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate.

Molecular Properties

• Compound Name: bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate
• PubChem CID: 129281730
• Molecular Formula: C35H65N3O6
• Molecular Weight: 623.92 g/mol
• Exact Mass: 623.49
• IUPAC Name: bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate
• SMILES: CN1C(C)(C)CC(OC(=O)C(CC(O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
• InChI: InChI=1S/C35H65N3O6/c1-30(2)17-23(18-31(3,4)36(30)13)42-27(39)16-26(28(40)43-24-19-32(5,6)37(14)33(7,8)20-24)29(41)44-25-21-34(9,10)38(15)35(11,12)22-25/h23-27,39H,16-22H2,1-15H3
• InChIKey: JRDJCIZVZZSXJV-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 91.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.92
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate?

The IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate (CID 129281730) is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate.

What is the SMILES notation for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate?

The canonical SMILES for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate is CN1C(C)(C)CC(OC(=O)C(CC(O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.

What is the InChIKey of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate?

The InChIKey is JRDJCIZVZZSXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H65N3O6/c1-30(2)17-23(18-31(3,4)36(30)13)42-27(39)16-26(28(40)43-24-19-32(5,6)37(14)33(7,8)20-24)29(41)44-25-21-34(9,10)38(15)35(11,12)22-25/h23-27,39H,16-22H2,1-15H3.

What are the key properties of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate?

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate has a molecular weight of 623.92 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate is sourced from PubChem (CID 129281730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).