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

C27H50N2O4 — CID 21293228

IUPAC2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid
SMILESCC1(C)CC(C(CCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C27H50N2O4/c1-23(2)15-19(16-24(3,4)28-23)27(22(32)33,14-12-10-9-11-13-21(30)31)20-17-25(5,6)29-26(7,8)18-20/h19-20,28-29H,9-18H2,1-8H3,(H,30,31)(H,32,33)
InChIKeyFIZYYMYJTTZJIO-UHFFFAOYSA-N
MW466.71 g/mol
LogP5.60
Rot. Bonds10

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

2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid (PubChem CID 21293228) has the molecular formula C27H50N2O4 and a molecular weight of 466.71 g/mol. Its IUPAC name is 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid.

Molecular Properties

Compound Name2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid
PubChem CID21293228
Molecular FormulaC27H50N2O4
Molecular Weight466.71 g/mol
Exact Mass466.38
IUPAC Name2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid
SMILESCC1(C)CC(C(CCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C27H50N2O4/c1-23(2)15-19(16-24(3,4)28-23)27(22(32)33,14-12-10-9-11-13-21(30)31)20-17-25(5,6)29-26(7,8)18-20/h19-20,28-29H,9-18H2,1-8H3,(H,30,31)(H,32,33)
InChIKeyFIZYYMYJTTZJIO-UHFFFAOYSA-N
XLogP5.60
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.71
LogP ≤ 55.60
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

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)heptanedioic acid
CID 21293230
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate
CID 88746515
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
ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol
CID 174733730
2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid
CID 19780675
2,2-bis(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)decanedioic acid diiodide
CID 70156589
3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid
CID 67448789
5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanoic acid
CID 3133160

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid?
The IUPAC name of 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid (CID 21293228) is 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid.
What is the SMILES notation for 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid?
The canonical SMILES for 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid is CC1(C)CC(C(CCCCCCC(=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)nonanedioic acid?
The InChIKey is FIZYYMYJTTZJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50N2O4/c1-23(2)15-19(16-24(3,4)28-23)27(22(32)33,14-12-10-9-11-13-21(30)31)20-17-25(5,6)29-26(7,8)18-20/h19-20,28-29H,9-18H2,1-8H3,(H,30,31)(H,32,33).
What are the key properties of 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid?
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid has a molecular weight of 466.71 g/mol, XLogP of 5.60, 10 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)nonanedioic acid is sourced from PubChem (CID 21293228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).