2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid

C17H33NO2 — CID 68877413

IUPAC2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid
SMILESCCCCC(CC)(C(=O)O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H33NO2/c1-7-9-10-17(8-2,14(19)20)13-11-15(3,4)18-16(5,6)12-13/h13,18H,7-12H2,1-6H3,(H,19,20)
InChIKeyNMQNAFORSYRKPW-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.21
Rot. Bonds6

About 2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid

2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid (PubChem CID 68877413) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid
PubChem CID68877413
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid
SMILESCCCCC(CC)(C(=O)O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H33NO2/c1-7-9-10-17(8-2,14(19)20)13-11-15(3,4)18-16(5,6)12-13/h13,18H,7-12H2,1-6H3,(H,19,20)
InChIKeyNMQNAFORSYRKPW-UHFFFAOYSA-N
XLogP4.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate
CID 20512140
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid
CID 21293230
3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid
CID 23497897
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
2,2-dimethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxyhexan-1-ol
CID 139492039
2-benzyl-2-[1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butyl]propanedioic acid
CID 70530283
2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid
CID 116516649
2-ethyl-2-hydroxyhexanoic acid
CID 20700530
2-cyclohexyl-2-hexylhexanedioic acid
CID 66598737
15-methyl-2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1,2,3,4-tetracarboxylic acid
CID 22165760

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid?
The IUPAC name of 2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid (CID 68877413) is 2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid.
What is the SMILES notation for 2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid?
The canonical SMILES for 2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid is CCCCC(CC)(C(=O)O)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid?
The InChIKey is NMQNAFORSYRKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-7-9-10-17(8-2,14(19)20)13-11-15(3,4)18-16(5,6)12-13/h13,18H,7-12H2,1-6H3,(H,19,20).
What are the key properties of 2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid?
2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid has a molecular weight of 283.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexanoic acid is sourced from PubChem (CID 68877413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).