2,2-bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid

C28H52N2O4 — CID 18352045

IUPAC2,2-bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid
SMILESCC1CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)N(C)C(C)(C)C2)CC(C)(C)N1C
InChIInChI=1S/C28H52N2O4/c1-20-16-22(18-26(3,4)29(20)7)28(25(33)34,15-13-11-9-10-12-14-24(31)32)23-17-21(2)30(8)27(5,6)19-23/h20-23H,9-19H2,1-8H3,(H,31,32)(H,33,34)
InChIKeyKJQMLSFJFPLULV-UHFFFAOYSA-N
MW480.73 g/mol
LogP5.89
Rot. Bonds11

About 2,2-bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid

2,2-bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid (PubChem CID 18352045) has the molecular formula C28H52N2O4 and a molecular weight of 480.73 g/mol. Its IUPAC name is 2,2-bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid.

Molecular Properties

Compound Name2,2-bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid
PubChem CID18352045
Molecular FormulaC28H52N2O4
Molecular Weight480.73 g/mol
Exact Mass480.39
IUPAC Name2,2-bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid
SMILESCC1CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)N(C)C(C)(C)C2)CC(C)(C)N1C
InChIInChI=1S/C28H52N2O4/c1-20-16-22(18-26(3,4)29(20)7)28(25(33)34,15-13-11-9-10-12-14-24(31)32)23-17-21(2)30(8)27(5,6)19-23/h20-23H,9-19H2,1-8H3,(H,31,32)(H,33,34)
InChIKeyKJQMLSFJFPLULV-UHFFFAOYSA-N
XLogP5.89
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.73
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-Bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
CID 11655948
2,2-Bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid
CID 11706150
2,2-Bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
CID 21894016
1'-Tert-butyl-5'-fluoro-6,6,9a-trimethylspiro[1,2,3,4,7,9-hexahydroquinolizine-8,3'-piperidine]-2,4'-dicarboxylic acid
CID 169579475
1,2,3-Tris(1,2,2,6,6-pentamethylpiperidin-4-yl)heptadecane-1,2,3,4-tetracarboxylic acid
CID 3020056
1,2,3-Tris(1,2,2,6,6-pentamethylpiperidin-4-yl)icosane-1,2,3,4-tetracarboxylic acid
CID 3020058
2,2-Bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioic acid
CID 11560319
2-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]acetic acid
CID 11820035
1,1,2-Tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
CID 18358647
2,2-Bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
CID 18371956
2,2-Bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioic acid
CID 18533683
2,2-Bis(2,2,3,3,4-pentamethyl-1-octoxypiperidin-4-yl)decanedioic acid
CID 18629548

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid?
The IUPAC name of 2,2-bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid (CID 18352045) is 2,2-bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid.
What is the SMILES notation for 2,2-bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid?
The canonical SMILES for 2,2-bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid is CC1CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)N(C)C(C)(C)C2)CC(C)(C)N1C.
What is the InChIKey of 2,2-bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid?
The InChIKey is KJQMLSFJFPLULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O4/c1-20-16-22(18-26(3,4)29(20)7)28(25(33)34,15-13-11-9-10-12-14-24(31)32)23-17-21(2)30(8)27(5,6)19-23/h20-23H,9-19H2,1-8H3,(H,31,32)(H,33,34).
What are the key properties of 2,2-bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid?
2,2-bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid has a molecular weight of 480.73 g/mol, XLogP of 5.89, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid is sourced from PubChem (CID 18352045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).