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

C26H40N2O8 — CID 139789331

IUPACbis(1,3-dihydroxy-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)C2O)C(O)C(C)(C)N1O
InChIInChI=1S/C26H40N2O8/c1-23(2)13-17(19(29)25(5,6)27(23)33)35-21(31)15-11-9-10-12-16(15)22(32)36-18-14-24(3,4)28(34)26(7,8)20(18)30/h9-12,17-20,29-30,33-34H,13-14H2,1-8H3
InChIKeyWOOIDPKZHSQPLY-UHFFFAOYSA-N
MW508.61 g/mol
LogP2.76
Rot. Bonds4

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

bis(1,3-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate (PubChem CID 139789331) has the molecular formula C26H40N2O8 and a molecular weight of 508.61 g/mol. Its IUPAC name is bis(1,3-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(1,3-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate
PubChem CID139789331
Molecular FormulaC26H40N2O8
Molecular Weight508.61 g/mol
Exact Mass508.28
IUPAC Namebis(1,3-dihydroxy-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)C2O)C(O)C(C)(C)N1O
InChIInChI=1S/C26H40N2O8/c1-23(2)13-17(19(29)25(5,6)27(23)33)35-21(31)15-11-9-10-12-16(15)22(32)36-18-14-24(3,4)28(34)26(7,8)20(18)30/h9-12,17-20,29-30,33-34H,13-14H2,1-8H3
InChIKeyWOOIDPKZHSQPLY-UHFFFAOYSA-N
XLogP2.76
TPSA140.00 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.61
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze bis(1,3-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate
CID 1513129
Di(2,2,6,6-tetramethyl-1-oxyl-4-piperidyl) phthalate
CID 1222549
Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) phthalate
CID 4370498
Phthalic acid, mono(2,2,6,6-tetramethylpiperidin-4-yl) ester
CID 5194167
2-(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzoic acid
CID 7304442
4-Benzoyloxy-1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidine
CID 12084308
1,8-Bis(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yloxy)octane
CID 15169995
Di-[1-(alpha-methylbenzyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] Phthalate
CID 19768358
Bis[1-(2-methoxycarbonylethoxy)-2,2,6,6-tetramethylpiperidin-4-yl] Phthalate
CID 19784855
4-Benzoyloxy-1-[2-(1-octyloxy-2,2,6,6-tetramethylpiperidin-4-oxycarbonyl)ethoxy]-2,2,6,6-tetramethyl-piperidine
CID 19834297
2-O-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate
CID 19855270
[1-[3-[3-[3-(4-Benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 20510594

Frequently Asked Questions

What is the IUPAC name of bis(1,3-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate?
The IUPAC name of bis(1,3-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate (CID 139789331) is bis(1,3-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate.
What is the SMILES notation for bis(1,3-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate?
The canonical SMILES for bis(1,3-dihydroxy-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)C2O)C(O)C(C)(C)N1O.
What is the InChIKey of bis(1,3-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate?
The InChIKey is WOOIDPKZHSQPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O8/c1-23(2)13-17(19(29)25(5,6)27(23)33)35-21(31)15-11-9-10-12-16(15)22(32)36-18-14-24(3,4)28(34)26(7,8)20(18)30/h9-12,17-20,29-30,33-34H,13-14H2,1-8H3.
What are the key properties of bis(1,3-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate?
bis(1,3-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate has a molecular weight of 508.61 g/mol, XLogP of 2.76, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-dihydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2-dicarboxylate is sourced from PubChem (CID 139789331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).