4-tert-butyl-4-hydroxy-1,2,3,3-tetramethylpiperidine-2-carboxylic acid

C14H27NO3 — CID 175492288

IUPAC4-tert-butyl-4-hydroxy-1,2,3,3-tetramethylpiperidine-2-carboxylic acid
SMILESCN1CCC(O)(C(C)(C)C)C(C)(C)C1(C)C(=O)O
InChIInChI=1S/C14H27NO3/c1-11(2,3)14(18)8-9-15(7)13(6,10(16)17)12(14,4)5/h18H,8-9H2,1-7H3,(H,16,17)
InChIKeyIHSNYOAMQLRNSH-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.97
Rot. Bonds1

About 4-tert-butyl-4-hydroxy-1,2,3,3-tetramethylpiperidine-2-carboxylic acid

4-tert-butyl-4-hydroxy-1,2,3,3-tetramethylpiperidine-2-carboxylic acid (PubChem CID 175492288) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 4-tert-butyl-4-hydroxy-1,2,3,3-tetramethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-4-hydroxy-1,2,3,3-tetramethylpiperidine-2-carboxylic acid
PubChem CID175492288
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name4-tert-butyl-4-hydroxy-1,2,3,3-tetramethylpiperidine-2-carboxylic acid
SMILESCN1CCC(O)(C(C)(C)C)C(C)(C)C1(C)C(=O)O
InChIInChI=1S/C14H27NO3/c1-11(2,3)14(18)8-9-15(7)13(6,10(16)17)12(14,4)5/h18H,8-9H2,1-7H3,(H,16,17)
InChIKeyIHSNYOAMQLRNSH-UHFFFAOYSA-N
XLogP1.97
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride
CID 70559346
1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid
CID 83905947
1,2,3,3-tetramethylpiperidine-2-carboxamide
CID 175521900
1,2-dimethylpiperidine-2-carboxylic acid
CID 73440704
1-tert-butylcyclopropane-1-carboxylic acid
CID 55301234
1-methylpyrrolidine-2,2-dicarboxylic acid
CID 83669888
ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid
CID 166471402
2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid
CID 81096611
(2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 66593969
1-(4-tert-butylcyclohexyl)-2-methylpyrrolidine-2-carboxylic acid
CID 65071175
3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid
CID 103565147
1-tert-butylpiperidine-4,4-dicarboxylic acid
CID 117007985

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-hydroxy-1,2,3,3-tetramethylpiperidine-2-carboxylic acid?
The IUPAC name of 4-tert-butyl-4-hydroxy-1,2,3,3-tetramethylpiperidine-2-carboxylic acid (CID 175492288) is 4-tert-butyl-4-hydroxy-1,2,3,3-tetramethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-4-hydroxy-1,2,3,3-tetramethylpiperidine-2-carboxylic acid?
The canonical SMILES for 4-tert-butyl-4-hydroxy-1,2,3,3-tetramethylpiperidine-2-carboxylic acid is CN1CCC(O)(C(C)(C)C)C(C)(C)C1(C)C(=O)O.
What is the InChIKey of 4-tert-butyl-4-hydroxy-1,2,3,3-tetramethylpiperidine-2-carboxylic acid?
The InChIKey is IHSNYOAMQLRNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-11(2,3)14(18)8-9-15(7)13(6,10(16)17)12(14,4)5/h18H,8-9H2,1-7H3,(H,16,17).
What are the key properties of 4-tert-butyl-4-hydroxy-1,2,3,3-tetramethylpiperidine-2-carboxylic acid?
4-tert-butyl-4-hydroxy-1,2,3,3-tetramethylpiperidine-2-carboxylic acid has a molecular weight of 257.37 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-hydroxy-1,2,3,3-tetramethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 175492288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).