2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid

C13H19N3O2 — CID 116972319

IUPAC2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid
SMILESCCc1ccc(N2CCCCC2CC(=O)O)nn1
InChIInChI=1S/C13H19N3O2/c1-2-10-6-7-12(15-14-10)16-8-4-3-5-11(16)9-13(17)18/h6-7,11H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyVAPDSFXQLAWQDI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.87
Rot. Bonds4

About 2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid

2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid (PubChem CID 116972319) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid
PubChem CID116972319
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid
SMILESCCc1ccc(N2CCCCC2CC(=O)O)nn1
InChIInChI=1S/C13H19N3O2/c1-2-10-6-7-12(15-14-10)16-8-4-3-5-11(16)9-13(17)18/h6-7,11H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyVAPDSFXQLAWQDI-UHFFFAOYSA-N
XLogP1.87
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid
CID 61371685
[1-[6-(hydroxymethyl)pyridazin-3-yl]piperidin-2-yl]methanol
CID 61407734
2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 61240133
1-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine
CID 62279015
2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 138030149
2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid
CID 117027896
2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid
CID 61009168
2-methyl-N-[[6-(2-propylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 83044693
2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 61370312
ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 121206169
6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide
CID 116640255
[1-(6-propylpyridazin-3-yl)pyrrolidin-2-yl]methanamine
CID 116973022

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid (CID 116972319) is 2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid is CCc1ccc(N2CCCCC2CC(=O)O)nn1.
What is the InChIKey of 2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid?
The InChIKey is VAPDSFXQLAWQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-10-6-7-12(15-14-10)16-8-4-3-5-11(16)9-13(17)18/h6-7,11H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid?
2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 116972319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).