6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid

C17H25N3O2 — CID 122053839

IUPAC6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESCC1CCC(N2CCN(c3cccc(C(=O)O)n3)CC2)CC1
InChIInChI=1S/C17H25N3O2/c1-13-5-7-14(8-6-13)19-9-11-20(12-10-19)16-4-2-3-15(18-16)17(21)22/h2-4,13-14H,5-12H2,1H3,(H,21,22)
InChIKeyYJDODDFQXNAKJT-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.48
Rot. Bonds3

About 6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid

6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122053839) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID122053839
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESCC1CCC(N2CCN(c3cccc(C(=O)O)n3)CC2)CC1
InChIInChI=1S/C17H25N3O2/c1-13-5-7-14(8-6-13)19-9-11-20(12-10-19)16-4-2-3-15(18-16)17(21)22/h2-4,13-14H,5-12H2,1H3,(H,21,22)
InChIKeyYJDODDFQXNAKJT-UHFFFAOYSA-N
XLogP2.48
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 62254825
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
6-(4,4-dimethylazepan-1-yl)pyridine-2-carboxylic acid
CID 65283066
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615
1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61444197
6-(4-cyclopropylpiperazin-1-yl)pyridin-2-amine
CID 80653303
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
CID 122054919
6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122053398

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid (CID 122053839) is 6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid is CC1CCC(N2CCN(c3cccc(C(=O)O)n3)CC2)CC1.
What is the InChIKey of 6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is YJDODDFQXNAKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-5-7-14(8-6-13)19-9-11-20(12-10-19)16-4-2-3-15(18-16)17(21)22/h2-4,13-14H,5-12H2,1H3,(H,21,22).
What are the key properties of 6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid?
6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 303.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).