2,4-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylic acid

C34H56N2O4 — CID 21330448

IUPAC2,4-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylic acid
SMILESCCC1(C)CC(c2ccc(C(=O)O)c(C3CC(C)(CC)N(C)C(C)(CC)C3C)c2C(=O)O)C(C)C(C)(CC)N1C
InChIInChI=1S/C34H56N2O4/c1-13-31(7)19-25(21(5)33(9,15-3)35(31)11)23-17-18-24(29(37)38)27(28(23)30(39)40)26-20-32(8,14-2)36(12)34(10,16-4)22(26)6/h17-18,21-22,25-26H,13-16,19-20H2,1-12H3,(H,37,38)(H,39,40)
InChIKeyRHMBNSOAWIYRCB-UHFFFAOYSA-N
MW556.83 g/mol
LogP7.87
Rot. Bonds8

About 2,4-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylic acid

2,4-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylic acid (PubChem CID 21330448) has the molecular formula C34H56N2O4 and a molecular weight of 556.83 g/mol. Its IUPAC name is 2,4-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2,4-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylic acid
PubChem CID21330448
Molecular FormulaC34H56N2O4
Molecular Weight556.83 g/mol
Exact Mass556.42
IUPAC Name2,4-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylic acid
SMILESCCC1(C)CC(c2ccc(C(=O)O)c(C3CC(C)(CC)N(C)C(C)(CC)C3C)c2C(=O)O)C(C)C(C)(CC)N1C
InChIInChI=1S/C34H56N2O4/c1-13-31(7)19-25(21(5)33(9,15-3)35(31)11)23-17-18-24(29(37)38)27(28(23)30(39)40)26-20-32(8,14-2)36(12)34(10,16-4)22(26)6/h17-18,21-22,25-26H,13-16,19-20H2,1-12H3,(H,37,38)(H,39,40)
InChIKeyRHMBNSOAWIYRCB-UHFFFAOYSA-N
XLogP7.87
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.83
LogP ≤ 57.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 2,4-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylic acid (CID 21330448) is 2,4-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 2,4-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 2,4-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylic acid is CCC1(C)CC(c2ccc(C(=O)O)c(C3CC(C)(CC)N(C)C(C)(CC)C3C)c2C(=O)O)C(C)C(C)(CC)N1C.
What is the InChIKey of 2,4-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylic acid?
The InChIKey is RHMBNSOAWIYRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56N2O4/c1-13-31(7)19-25(21(5)33(9,15-3)35(31)11)23-17-18-24(29(37)38)27(28(23)30(39)40)26-20-32(8,14-2)36(12)34(10,16-4)22(26)6/h17-18,21-22,25-26H,13-16,19-20H2,1-12H3,(H,37,38)(H,39,40).
What are the key properties of 2,4-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylic acid?
2,4-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylic acid has a molecular weight of 556.83 g/mol, XLogP of 7.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 21330448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).