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

C26H46N2O4 — CID 67107833

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate
SMILESCC1(C)CC(OC(=O)C2CCC(C(=O)OC3CC(C)(C)NC(C)(C)C3)CC2)CC(C)(C)N1
InChIInChI=1S/C26H46N2O4/c1-23(2)13-19(14-24(3,4)27-23)31-21(29)17-9-11-18(12-10-17)22(30)32-20-15-25(5,6)28-26(7,8)16-20/h17-20,27-28H,9-16H2,1-8H3
InChIKeyURRNHWCYHDBVAT-UHFFFAOYSA-N
MW450.66 g/mol
LogP4.50
Rot. Bonds4

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

bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate (PubChem CID 67107833) has the molecular formula C26H46N2O4 and a molecular weight of 450.66 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate
PubChem CID67107833
Molecular FormulaC26H46N2O4
Molecular Weight450.66 g/mol
Exact Mass450.35
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate
SMILESCC1(C)CC(OC(=O)C2CCC(C(=O)OC3CC(C)(C)NC(C)(C)C3)CC2)CC(C)(C)N1
InChIInChI=1S/C26H46N2O4/c1-23(2)13-19(14-24(3,4)27-23)31-21(29)17-9-11-18(12-10-17)22(30)32-20-15-25(5,6)28-26(7,8)16-20/h17-20,27-28H,9-16H2,1-8H3
InChIKeyURRNHWCYHDBVAT-UHFFFAOYSA-N
XLogP4.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.66
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate (CID 67107833) is bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate is CC1(C)CC(OC(=O)C2CCC(C(=O)OC3CC(C)(C)NC(C)(C)C3)CC2)CC(C)(C)N1.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate?
The InChIKey is URRNHWCYHDBVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O4/c1-23(2)13-19(14-24(3,4)27-23)31-21(29)17-9-11-18(12-10-17)22(30)32-20-15-25(5,6)28-26(7,8)16-20/h17-20,27-28H,9-16H2,1-8H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate has a molecular weight of 450.66 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate is sourced from PubChem (CID 67107833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).