6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid

C14H20N2O2 — CID 103496539

IUPAC6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCC(C)C1CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C14H20N2O2/c1-10(2)11-6-8-16(9-7-11)13-5-3-4-12(15-13)14(17)18/h3-5,10-11H,6-9H2,1-2H3,(H,17,18)
InChIKeyCNWRIKZKZFBFCV-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.65
Rot. Bonds3

About 6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid

6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 103496539) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
PubChem CID103496539
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCC(C)C1CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C14H20N2O2/c1-10(2)11-6-8-16(9-7-11)13-5-3-4-12(15-13)14(17)18/h3-5,10-11H,6-9H2,1-2H3,(H,17,18)
InChIKeyCNWRIKZKZFBFCV-UHFFFAOYSA-N
XLogP2.65
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053337
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053727
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122054672
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-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122048040
6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 62254825
6-(4,4-dimethylazepan-1-yl)pyridine-2-carboxylic acid
CID 65283066

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid (CID 103496539) is 6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid is CC(C)C1CCN(c2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is CNWRIKZKZFBFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)11-6-8-16(9-7-11)13-5-3-4-12(15-13)14(17)18/h3-5,10-11H,6-9H2,1-2H3,(H,17,18).
What are the key properties of 6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid?
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 103496539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).