4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid

C12H17N3O2 — CID 141315989

IUPAC4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid
SMILESCc1cnc(N2CCN(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C12H17N3O2/c1-9-7-10(2)11(13-8-9)14-3-5-15(6-4-14)12(16)17/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyISQFYGOZBQORGF-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.50
Rot. Bonds1

About 4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid

4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid (PubChem CID 141315989) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid
PubChem CID141315989
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid
SMILESCc1cnc(N2CCN(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C12H17N3O2/c1-9-7-10(2)11(13-8-9)14-3-5-15(6-4-14)12(16)17/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyISQFYGOZBQORGF-UHFFFAOYSA-N
XLogP1.50
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 141265306
4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 67380856
(2S)-4-(3,5-dimethyl-2-pyridinyl)piperazine-1,2-dicarboxylic acid
CID 134494744
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(6-fluoro-4-methyl-3-pyridinyl)methanone
CID 71252935
(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone
CID 67381229
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone
CID 71252432
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylimidazolidine-2,4-dione
CID 71252985
5-methyl-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 66935695
(4-bromo-2-nitrophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone
CID 58484547
(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 58484827
(3S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione;(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione
CID 158249149
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-[(2S)-1-methylsulfonylpropan-2-yl]phenyl]methanone
CID 147325253

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid (CID 141315989) is 4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid is Cc1cnc(N2CCN(C(=O)O)CC2)c(C)c1.
What is the InChIKey of 4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid?
The InChIKey is ISQFYGOZBQORGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-7-10(2)11(13-8-9)14-3-5-15(6-4-14)12(16)17/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid?
4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 141315989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).