6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid

C15H22N2O2 — CID 55053326

IUPAC6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCC(C)(C)C1CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)11-7-9-17(10-8-11)13-6-4-5-12(16-13)14(18)19/h4-6,11H,7-10H2,1-3H3,(H,18,19)
InChIKeyAQWCBKCOGGOMMW-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.04
Rot. Bonds2

About 6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid

6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 55053326) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
PubChem CID55053326
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCC(C)(C)C1CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)11-7-9-17(10-8-11)13-6-4-5-12(16-13)14(18)19/h4-6,11H,7-10H2,1-3H3,(H,18,19)
InChIKeyAQWCBKCOGGOMMW-UHFFFAOYSA-N
XLogP3.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
6-(4-tert-butylpiperidin-1-yl)pyridin-2-amine
CID 80652934
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053337
6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122057093
2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 113377249
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615
6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053839
6-[4-(cyclopropanecarbonylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122051588
6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 62254825

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid (CID 55053326) is 6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid is CC(C)(C)C1CCN(c2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is AQWCBKCOGGOMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)11-7-9-17(10-8-11)13-6-4-5-12(16-13)14(18)19/h4-6,11H,7-10H2,1-3H3,(H,18,19).
What are the key properties of 6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid?
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 55053326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).