2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid

C11H14ClN3O3 — CID 114335425

IUPAC2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C11H14ClN3O3/c12-9-5-13-6-10(14-9)15-3-1-8(2-4-15)18-7-11(16)17/h5-6,8H,1-4,7H2,(H,16,17)
InChIKeyQYGDGAILKOFICP-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.20
Rot. Bonds4

About 2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid

2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid (PubChem CID 114335425) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid
PubChem CID114335425
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C11H14ClN3O3/c12-9-5-13-6-10(14-9)15-3-1-8(2-4-15)18-7-11(16)17/h5-6,8H,1-4,7H2,(H,16,17)
InChIKeyQYGDGAILKOFICP-UHFFFAOYSA-N
XLogP1.20
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(6-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 86323671
2-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 55250913
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63869549
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 63903910
2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 59598902
1-(6-chloropyrazin-2-yl)azepan-4-ol
CID 130702579
2-[4-(6-chloropyrazin-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 114335407
2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid
CID 115372075
2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine
CID 62996393
2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 114765410
2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
CID 82691470
2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]oxyethanol
CID 133315157

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid (CID 114335425) is 2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(c2cncc(Cl)n2)CC1.
What is the InChIKey of 2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid?
The InChIKey is QYGDGAILKOFICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c12-9-5-13-6-10(14-9)15-3-1-8(2-4-15)18-7-11(16)17/h5-6,8H,1-4,7H2,(H,16,17).
What are the key properties of 2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid?
2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid has a molecular weight of 271.70 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 114335425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).