bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-hydroxybenzene-1,3-dicarboxylate

C26H40N2O5 — CID 154292612

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) 2-hydroxybenzene-1,3-dicarboxylate
SMILESCC1(C)CC(OC(=O)c2cccc(C(=O)OC3CC(C)(C)NC(C)(C)C3)c2O)CC(C)(C)N1
InChIInChI=1S/C26H40N2O5/c1-23(2)12-16(13-24(3,4)27-23)32-21(30)18-10-9-11-19(20(18)29)22(31)33-17-14-25(5,6)28-26(7,8)15-17/h9-11,16-17,27-29H,12-15H2,1-8H3
InChIKeyKVUMTYJLOBKFQU-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.32
Rot. Bonds4

About bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-hydroxybenzene-1,3-dicarboxylate

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-hydroxybenzene-1,3-dicarboxylate (PubChem CID 154292612) has the molecular formula C26H40N2O5 and a molecular weight of 460.62 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-hydroxybenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2-hydroxybenzene-1,3-dicarboxylate
PubChem CID154292612
Molecular FormulaC26H40N2O5
Molecular Weight460.62 g/mol
Exact Mass460.29
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2-hydroxybenzene-1,3-dicarboxylate
SMILESCC1(C)CC(OC(=O)c2cccc(C(=O)OC3CC(C)(C)NC(C)(C)C3)c2O)CC(C)(C)N1
InChIInChI=1S/C26H40N2O5/c1-23(2)12-16(13-24(3,4)27-23)32-21(30)18-10-9-11-19(20(18)29)22(31)33-17-14-25(5,6)28-26(7,8)15-17/h9-11,16-17,27-29H,12-15H2,1-8H3
InChIKeyKVUMTYJLOBKFQU-UHFFFAOYSA-N
XLogP4.32
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-hydroxybenzene-1,3-dicarboxylate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-hydroxybenzene-1,3-dicarboxylate (CID 154292612) is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-hydroxybenzene-1,3-dicarboxylate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-hydroxybenzene-1,3-dicarboxylate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-hydroxybenzene-1,3-dicarboxylate is CC1(C)CC(OC(=O)c2cccc(C(=O)OC3CC(C)(C)NC(C)(C)C3)c2O)CC(C)(C)N1.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-hydroxybenzene-1,3-dicarboxylate?
The InChIKey is KVUMTYJLOBKFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O5/c1-23(2)12-16(13-24(3,4)27-23)32-21(30)18-10-9-11-19(20(18)29)22(31)33-17-14-25(5,6)28-26(7,8)15-17/h9-11,16-17,27-29H,12-15H2,1-8H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-hydroxybenzene-1,3-dicarboxylate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-hydroxybenzene-1,3-dicarboxylate has a molecular weight of 460.62 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-hydroxybenzene-1,3-dicarboxylate is sourced from PubChem (CID 154292612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).