bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate

C26H48N2O6 — CID 141285453

IUPACbis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
SMILESCCON1C(C)(C)CC(OC(=O)CCC(=O)OC2CC(C)(C)N(OCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C26H48N2O6/c1-11-31-27-23(3,4)15-19(16-24(27,5)6)33-21(29)13-14-22(30)34-20-17-25(7,8)28(32-12-2)26(9,10)18-20/h19-20H,11-18H2,1-10H3
InChIKeyOYWWBLTUISMRIX-UHFFFAOYSA-N
MW484.68 g/mol
LogP4.80
Rot. Bonds9

About bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate

bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate (PubChem CID 141285453) has the molecular formula C26H48N2O6 and a molecular weight of 484.68 g/mol. Its IUPAC name is bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate.

Molecular Properties

Compound Namebis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
PubChem CID141285453
Molecular FormulaC26H48N2O6
Molecular Weight484.68 g/mol
Exact Mass484.35
IUPAC Namebis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
SMILESCCON1C(C)(C)CC(OC(=O)CCC(=O)OC2CC(C)(C)N(OCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C26H48N2O6/c1-11-31-27-23(3,4)15-19(16-24(27,5)6)33-21(29)13-14-22(30)34-20-17-25(7,8)28(32-12-2)26(9,10)18-20/h19-20H,11-18H2,1-10H3
InChIKeyOYWWBLTUISMRIX-UHFFFAOYSA-N
XLogP4.80
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.68
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate?
The IUPAC name of bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate (CID 141285453) is bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate.
What is the SMILES notation for bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate?
The canonical SMILES for bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate is CCON1C(C)(C)CC(OC(=O)CCC(=O)OC2CC(C)(C)N(OCC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate?
The InChIKey is OYWWBLTUISMRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N2O6/c1-11-31-27-23(3,4)15-19(16-24(27,5)6)33-21(29)13-14-22(30)34-20-17-25(7,8)28(32-12-2)26(9,10)18-20/h19-20H,11-18H2,1-10H3.
What are the key properties of bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate?
bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate has a molecular weight of 484.68 g/mol, XLogP of 4.80, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate is sourced from PubChem (CID 141285453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).