2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid

C14H27NO3 — CID 176571405

IUPAC2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid
SMILESCCC1(CC)CC(C(=O)O)CC(CC)(CC)N1O
InChIInChI=1S/C14H27NO3/c1-5-13(6-2)9-11(12(16)17)10-14(7-3,8-4)15(13)18/h11,18H,5-10H2,1-4H3,(H,16,17)
InChIKeyXRWGLOZSCCHPSZ-UHFFFAOYSA-N
MW257.37 g/mol
LogP3.29
Rot. Bonds5

About 2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid

2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid (PubChem CID 176571405) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid
PubChem CID176571405
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid
SMILESCCC1(CC)CC(C(=O)O)CC(CC)(CC)N1O
InChIInChI=1S/C14H27NO3/c1-5-13(6-2)9-11(12(16)17)10-14(7-3,8-4)15(13)18/h11,18H,5-10H2,1-4H3,(H,16,17)
InChIKeyXRWGLOZSCCHPSZ-UHFFFAOYSA-N
XLogP3.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sulfuric acid;N-(2,2,6,6-tetraethyl-1-hydroxypiperidin-4-yl)acetamide
CID 173247708
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1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid
CID 22340196
2,2-diethylcyclohexane-1,4-dicarboxylic acid
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1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid
CID 18522538
3,3-dichlorocyclobutane-1-carboxylic acid
CID 53439787
CID 140706073
CID 140706073
3-(bromomethyl)-3-fluorocyclobutane-1-carboxylic acid
CID 131024071
(2R)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
CID 134970541
(1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid
CID 155897633
(1S)-1-ethyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 87456882
3-tert-butyl-2,2,6,6-tetraethyl-4-hydroxypiperidine-1-carboxylic acid
CID 171595444

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid (CID 176571405) is 2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid is CCC1(CC)CC(C(=O)O)CC(CC)(CC)N1O.
What is the InChIKey of 2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid?
The InChIKey is XRWGLOZSCCHPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-13(6-2)9-11(12(16)17)10-14(7-3,8-4)15(13)18/h11,18H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid?
2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid has a molecular weight of 257.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 176571405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).