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

C26H40N2O6 — CID 1222549

IUPACbis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate
SMILESCC1(C)CC(OC(=O)c2ccccc2C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C26H40N2O6/c1-23(2)13-17(14-24(3,4)27(23)31)33-21(29)19-11-9-10-12-20(19)22(30)34-18-15-25(5,6)28(32)26(7,8)16-18/h9-12,17-18,31-32H,13-16H2,1-8H3
InChIKeyWJZRRMYMGWLZDY-UHFFFAOYSA-N
MW476.61 g/mol
LogP4.82
Rot. Bonds4

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

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate (PubChem CID 1222549) has the molecular formula C26H40N2O6 and a molecular weight of 476.61 g/mol. Its IUPAC name is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate
PubChem CID1222549
Molecular FormulaC26H40N2O6
Molecular Weight476.61 g/mol
Exact Mass476.29
IUPAC Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate
SMILESCC1(C)CC(OC(=O)c2ccccc2C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C26H40N2O6/c1-23(2)13-17(14-24(3,4)27(23)31)33-21(29)19-11-9-10-12-20(19)22(30)34-18-15-25(5,6)28(32)26(7,8)16-18/h9-12,17-18,31-32H,13-16H2,1-8H3
InChIKeyWJZRRMYMGWLZDY-UHFFFAOYSA-N
XLogP4.82
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate?
The IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate (CID 1222549) is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate.
What is the SMILES notation for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate?
The canonical SMILES for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate is CC1(C)CC(OC(=O)c2ccccc2C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O.
What is the InChIKey of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate?
The InChIKey is WJZRRMYMGWLZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O6/c1-23(2)13-17(14-24(3,4)27(23)31)33-21(29)19-11-9-10-12-20(19)22(30)34-18-15-25(5,6)28(32)26(7,8)16-18/h9-12,17-18,31-32H,13-16H2,1-8H3.
What are the key properties of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate?
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate has a molecular weight of 476.61 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate is sourced from PubChem (CID 1222549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).