2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid

C15H16FN3O2 — CID 82166158

IUPAC2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2ccc3cc(F)ccc3n2)CC1
InChIInChI=1S/C15H16FN3O2/c16-12-2-3-13-11(9-12)1-4-14(17-13)19-7-5-18(6-8-19)10-15(20)21/h1-4,9H,5-8,10H2,(H,20,21)
InChIKeyZRLLTFYQSHINJX-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.58
Rot. Bonds3

About 2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid

2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid (PubChem CID 82166158) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid
PubChem CID82166158
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2ccc3cc(F)ccc3n2)CC1
InChIInChI=1S/C15H16FN3O2/c16-12-2-3-13-11(9-12)1-4-14(17-13)19-7-5-18(6-8-19)10-15(20)21/h1-4,9H,5-8,10H2,(H,20,21)
InChIKeyZRLLTFYQSHINJX-UHFFFAOYSA-N
XLogP1.58
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid (CID 82166158) is 2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(c2ccc3cc(F)ccc3n2)CC1.
What is the InChIKey of 2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid?
The InChIKey is ZRLLTFYQSHINJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-12-2-3-13-11(9-12)1-4-14(17-13)19-7-5-18(6-8-19)10-15(20)21/h1-4,9H,5-8,10H2,(H,20,21).
What are the key properties of 2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid?
2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid has a molecular weight of 289.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 82166158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).