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

C35H65N3O5 — CID 167105370

IUPACbis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate
SMILESCN1C(C)(C)CC(OCCC(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C35H65N3O5/c1-30(2)18-24(19-31(3,4)36(30)13)41-17-16-27(28(39)42-25-20-32(5,6)37(14)33(7,8)21-25)29(40)43-26-22-34(9,10)38(15)35(11,12)23-26/h24-27H,16-23H2,1-15H3
InChIKeyGNTPOHUHQVMFBT-UHFFFAOYSA-N
MW607.92 g/mol
LogP6.05
Rot. Bonds8

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

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate (PubChem CID 167105370) has the molecular formula C35H65N3O5 and a molecular weight of 607.92 g/mol. Its IUPAC name is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate.

Molecular Properties

Compound Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate
PubChem CID167105370
Molecular FormulaC35H65N3O5
Molecular Weight607.92 g/mol
Exact Mass607.49
IUPAC Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate
SMILESCN1C(C)(C)CC(OCCC(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C35H65N3O5/c1-30(2)18-24(19-31(3,4)36(30)13)41-17-16-27(28(39)42-25-20-32(5,6)37(14)33(7,8)21-25)29(40)43-26-22-34(9,10)38(15)35(11,12)23-26/h24-27H,16-23H2,1-15H3
InChIKeyGNTPOHUHQVMFBT-UHFFFAOYSA-N
XLogP6.05
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.92
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[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-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate (CID 167105370) is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[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-(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-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate is CN1C(C)(C)CC(OCCC(C(=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-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate?
The InChIKey is GNTPOHUHQVMFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H65N3O5/c1-30(2)18-24(19-31(3,4)36(30)13)41-17-16-27(28(39)42-25-20-32(5,6)37(14)33(7,8)21-25)29(40)43-26-22-34(9,10)38(15)35(11,12)23-26/h24-27H,16-23H2,1-15H3.
What are the key properties of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate?
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate has a molecular weight of 607.92 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate is sourced from PubChem (CID 167105370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).