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

C12H15FN2O2 — CID 17221242

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H15FN2O2/c13-10-1-3-11(4-2-10)15-7-5-14(6-8-15)9-12(16)17/h1-4H,5-9H2,(H,16,17)
InChIKeyFYZQTJPHPXIWCX-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.03
Rot. Bonds3

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

2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid (PubChem CID 17221242) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
PubChem CID17221242
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H15FN2O2/c13-10-1-3-11(4-2-10)15-7-5-14(6-8-15)9-12(16)17/h1-4H,5-9H2,(H,16,17)
InChIKeyFYZQTJPHPXIWCX-UHFFFAOYSA-N
XLogP1.03
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid (CID 17221242) is 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid?
The InChIKey is FYZQTJPHPXIWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-10-1-3-11(4-2-10)15-7-5-14(6-8-15)9-12(16)17/h1-4H,5-9H2,(H,16,17).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid?
2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid has a molecular weight of 238.26 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 17221242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).