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

C25H46N2O4 — CID 21293230

IUPAC2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid
SMILESCC1(C)CC(C(CCCCC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C25H46N2O4/c1-21(2)13-17(14-22(3,4)26-21)25(20(30)31,12-10-9-11-19(28)29)18-15-23(5,6)27-24(7,8)16-18/h17-18,26-27H,9-16H2,1-8H3,(H,28,29)(H,30,31)
InChIKeyDKSTYMRZGRCIEY-UHFFFAOYSA-N
MW438.65 g/mol
LogP4.82
Rot. Bonds8

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

2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid (PubChem CID 21293230) has the molecular formula C25H46N2O4 and a molecular weight of 438.65 g/mol. Its IUPAC name is 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid.

Molecular Properties

Compound Name2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid
PubChem CID21293230
Molecular FormulaC25H46N2O4
Molecular Weight438.65 g/mol
Exact Mass438.35
IUPAC Name2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid
SMILESCC1(C)CC(C(CCCCC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C25H46N2O4/c1-21(2)13-17(14-22(3,4)26-21)25(20(30)31,12-10-9-11-19(28)29)18-15-23(5,6)27-24(7,8)16-18/h17-18,26-27H,9-16H2,1-8H3,(H,28,29)(H,30,31)
InChIKeyDKSTYMRZGRCIEY-UHFFFAOYSA-N
XLogP4.82
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.65
LogP ≤ 54.82
H-Bond Donors ≤ 54
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)nonanedioic acid
CID 21293228
azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
CID 118368680
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate
CID 88746515
ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol
CID 174733730
2,2-di(cyclododecyl)dodecanedioic acid
CID 121470791
2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid
CID 22615856
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
10-oxo-10-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]decanoic acid
CID 11638683
2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid
CID 19780675
5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanoic acid
CID 3133160
2,2-bis(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)decanedioic acid diiodide
CID 70156589
2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid
CID 68877413

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid?
The IUPAC name of 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid (CID 21293230) is 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid.
What is the SMILES notation for 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid?
The canonical SMILES for 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid is CC1(C)CC(C(CCCCC(=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)heptanedioic acid?
The InChIKey is DKSTYMRZGRCIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O4/c1-21(2)13-17(14-22(3,4)26-21)25(20(30)31,12-10-9-11-19(28)29)18-15-23(5,6)27-24(7,8)16-18/h17-18,26-27H,9-16H2,1-8H3,(H,28,29)(H,30,31).
What are the key properties of 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid?
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid has a molecular weight of 438.65 g/mol, XLogP of 4.82, 8 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)heptanedioic acid is sourced from PubChem (CID 21293230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).