1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid

C26H44N2O8 — CID 18358472

IUPAC1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
SMILESCC1(C)CC(C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)C(CC(=O)O)C(=O)O)CC(C)(C)N1
InChIInChI=1S/C26H44N2O8/c1-22(2)10-14(11-23(3,4)27-22)26(21(35)36,15-12-24(5,6)28-25(7,8)13-15)18(20(33)34)16(19(31)32)9-17(29)30/h14-16,18,27-28H,9-13H2,1-8H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)
InChIKeyMSIIZELBEHWKOT-UHFFFAOYSA-N
MW512.64 g/mol
LogP3.05
Rot. Bonds9

About 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid

1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid (PubChem CID 18358472) has the molecular formula C26H44N2O8 and a molecular weight of 512.64 g/mol. Its IUPAC name is 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
PubChem CID18358472
Molecular FormulaC26H44N2O8
Molecular Weight512.64 g/mol
Exact Mass512.31
IUPAC Name1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
SMILESCC1(C)CC(C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)C(CC(=O)O)C(=O)O)CC(C)(C)N1
InChIInChI=1S/C26H44N2O8/c1-22(2)10-14(11-23(3,4)27-22)26(21(35)36,15-12-24(5,6)28-25(7,8)13-15)18(20(33)34)16(19(31)32)9-17(29)30/h14-16,18,27-28H,9-13H2,1-8H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)
InChIKeyMSIIZELBEHWKOT-UHFFFAOYSA-N
XLogP3.05
TPSA173.26 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.64
LogP ≤ 53.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid (CID 18358472) is 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid is CC1(C)CC(C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)C(CC(=O)O)C(=O)O)CC(C)(C)N1.
What is the InChIKey of 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
The InChIKey is MSIIZELBEHWKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O8/c1-22(2)10-14(11-23(3,4)27-22)26(21(35)36,15-12-24(5,6)28-25(7,8)13-15)18(20(33)34)16(19(31)32)9-17(29)30/h14-16,18,27-28H,9-13H2,1-8H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36).
What are the key properties of 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid has a molecular weight of 512.64 g/mol, XLogP of 3.05, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 18358472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).