2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioic acid

C22H40N2O4 — CID 11560319

IUPAC2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioic acid
SMILESCC1(C)CC(C(CC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C22H40N2O4/c1-18(2)9-14(10-19(3,4)23-18)22(17(27)28,13-16(25)26)15-11-20(5,6)24-21(7,8)12-15/h14-15,23-24H,9-13H2,1-8H3,(H,25,26)(H,27,28)
InChIKeyLDANTSKWSPFSDR-UHFFFAOYSA-N
MW396.57 g/mol
LogP3.65
Rot. Bonds5

About 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioic acid

2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioic acid (PubChem CID 11560319) has the molecular formula C22H40N2O4 and a molecular weight of 396.57 g/mol. Its IUPAC name is 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioic acid.

Molecular Properties

Compound Name2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioic acid
PubChem CID11560319
Molecular FormulaC22H40N2O4
Molecular Weight396.57 g/mol
Exact Mass396.30
IUPAC Name2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioic acid
SMILESCC1(C)CC(C(CC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C22H40N2O4/c1-18(2)9-14(10-19(3,4)23-18)22(17(27)28,13-16(25)26)15-11-20(5,6)24-21(7,8)12-15/h14-15,23-24H,9-13H2,1-8H3,(H,25,26)(H,27,28)
InChIKeyLDANTSKWSPFSDR-UHFFFAOYSA-N
XLogP3.65
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.57
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioic acid?
The IUPAC name of 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioic acid (CID 11560319) is 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioic acid.
What is the SMILES notation for 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioic acid?
The canonical SMILES for 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioic acid is CC1(C)CC(C(CC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioic acid?
The InChIKey is LDANTSKWSPFSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O4/c1-18(2)9-14(10-19(3,4)23-18)22(17(27)28,13-16(25)26)15-11-20(5,6)24-21(7,8)12-15/h14-15,23-24H,9-13H2,1-8H3,(H,25,26)(H,27,28).
What are the key properties of 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioic acid?
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioic acid has a molecular weight of 396.57 g/mol, XLogP of 3.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioic acid is sourced from PubChem (CID 11560319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).