(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-formyl-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxymethyl]heptanoate

C43H74N2O5 — CID 146322192

About (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-formyl-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxymethyl]heptanoate

(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-formyl-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxymethyl]heptanoate (PubChem CID 146322192) has the molecular formula C43H74N2O5 and a molecular weight of 699.07 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-formyl-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxymethyl]heptanoate.

Molecular Properties

• Compound Name: (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-formyl-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxymethyl]heptanoate
• PubChem CID: 146322192
• Molecular Formula: C43H74N2O5
• Molecular Weight: 699.07 g/mol
• Exact Mass: 698.56
• IUPAC Name: (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-formyl-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxymethyl]heptanoate
• SMILES: CCCCC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C=O)(COC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
• InChI: InChI=1S/C43H74N2O5/c1-18-19-20-32(29-21-33(37(2,3)4)35(47)34(22-29)38(5,6)7)43(27-46,28-49-30-23-39(8,9)44(16)40(10,11)24-30)36(48)50-31-25-41(12,13)45(17)42(14,15)26-31/h21-22,27,30-32,47H,18-20,23-26,28H2,1-17H3
• InChIKey: IMJJHLKRDUFITF-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 79.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.07
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-formyl-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxymethyl]heptanoate?

The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-formyl-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxymethyl]heptanoate (CID 146322192) is (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-formyl-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxymethyl]heptanoate.

What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-formyl-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxymethyl]heptanoate?

The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-formyl-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxymethyl]heptanoate is CCCCC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C=O)(COC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.

What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-formyl-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxymethyl]heptanoate?

The InChIKey is IMJJHLKRDUFITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H74N2O5/c1-18-19-20-32(29-21-33(37(2,3)4)35(47)34(22-29)38(5,6)7)43(27-46,28-49-30-23-39(8,9)44(16)40(10,11)24-30)36(48)50-31-25-41(12,13)45(17)42(14,15)26-31/h21-22,27,30-32,47H,18-20,23-26,28H2,1-17H3.

What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-formyl-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxymethyl]heptanoate?

(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-formyl-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxymethyl]heptanoate has a molecular weight of 699.07 g/mol, XLogP of 9.31, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-formyl-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxymethyl]heptanoate is sourced from PubChem (CID 146322192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).