2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetic acid

C17H19FN2O2S — CID 119134551

IUPAC2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2ccc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C17H19FN2O2S/c18-15-4-2-1-3-14(15)16-6-5-13(23-16)11-19-7-9-20(10-8-19)12-17(21)22/h1-6H,7-12H2,(H,21,22)
InChIKeyNRZLMQFYFIMGMD-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.76
Rot. Bonds5

About 2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetic acid

2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetic acid (PubChem CID 119134551) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetic acid
PubChem CID119134551
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2ccc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C17H19FN2O2S/c18-15-4-2-1-3-14(15)16-6-5-13(23-16)11-19-7-9-20(10-8-19)12-17(21)22/h1-6H,7-12H2,(H,21,22)
InChIKeyNRZLMQFYFIMGMD-UHFFFAOYSA-N
XLogP2.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetic acid (CID 119134551) is 2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(Cc2ccc(-c3ccccc3F)s2)CC1.
What is the InChIKey of 2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetic acid?
The InChIKey is NRZLMQFYFIMGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c18-15-4-2-1-3-14(15)16-6-5-13(23-16)11-19-7-9-20(10-8-19)12-17(21)22/h1-6H,7-12H2,(H,21,22).
What are the key properties of 2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetic acid?
2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetic acid has a molecular weight of 334.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 119134551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).