6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid

C11H15N3O2 — CID 81232904

IUPAC6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCNCC2)c(C(=O)O)cn1
InChIInChI=1S/C11H15N3O2/c1-8-6-10(9(7-13-8)11(15)16)14-4-2-12-3-5-14/h6-7,12H,2-5H2,1H3,(H,15,16)
InChIKeyWGWSHMXDSBGYHT-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.50
Rot. Bonds2

About 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid

6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid (PubChem CID 81232904) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid
PubChem CID81232904
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCNCC2)c(C(=O)O)cn1
InChIInChI=1S/C11H15N3O2/c1-8-6-10(9(7-13-8)11(15)16)14-4-2-12-3-5-14/h6-7,12H,2-5H2,1H3,(H,15,16)
InChIKeyWGWSHMXDSBGYHT-UHFFFAOYSA-N
XLogP0.50
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 81233197
6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 81233113
6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 81232217
4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 81233126
4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 81244783
6-methyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carboxylic acid
CID 81243834
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 82691845
4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 102958647
4,6-dimethylpyridine-3-carboxylic acid
CID 817290
ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid
CID 170730921
4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 81244532
2,6-dimethyl-4-piperazin-1-ylpyridine-3-carboxamide
CID 81050845

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid (CID 81232904) is 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid is Cc1cc(N2CCNCC2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid?
The InChIKey is WGWSHMXDSBGYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-6-10(9(7-13-8)11(15)16)14-4-2-12-3-5-14/h6-7,12H,2-5H2,1H3,(H,15,16).
What are the key properties of 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid?
6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 81232904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).