(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid

C16H17FN2O2S — CID 86309571

IUPAC(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid
SMILESO=C(O)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H17FN2O2S/c17-12-3-5-13(6-4-12)18-7-9-19(10-8-18)15(16(20)21)14-2-1-11-22-14/h1-6,11,15H,7-10H2,(H,20,21)/t15-/m0/s1
InChIKeyPWHUNCHBVFJCSV-HNNXBMFYSA-N
MW320.39 g/mol
LogP2.84
Rot. Bonds4

About (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid

(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid (PubChem CID 86309571) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid
PubChem CID86309571
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid
SMILESO=C(O)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H17FN2O2S/c17-12-3-5-13(6-4-12)18-7-9-19(10-8-18)15(16(20)21)14-2-1-11-22-14/h1-6,11,15H,7-10H2,(H,20,21)/t15-/m0/s1
InChIKeyPWHUNCHBVFJCSV-HNNXBMFYSA-N
XLogP2.84
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135011
(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)acetic acid
CID 97135003
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)acetic acid
CID 75365752
(2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135183
N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
CID 7086561
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 42535984
(2R)-2-(6-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 29128233
2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 27397015
2-fluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 27397145
2-chloro-N-[(1R,2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 129366046
N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide
CID 53384111
4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 110866159

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid?
The IUPAC name of (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid (CID 86309571) is (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid?
The canonical SMILES for (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid is O=C(O)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid?
The InChIKey is PWHUNCHBVFJCSV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-12-3-5-13(6-4-12)18-7-9-19(10-8-18)15(16(20)21)14-2-1-11-22-14/h1-6,11,15H,7-10H2,(H,20,21)/t15-/m0/s1.
What are the key properties of (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid?
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid has a molecular weight of 320.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 86309571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).