2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid

C14H19FN2O2 — CID 84746417

IUPAC2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid
SMILESCCN1CCN(C(C(=O)O)c2ccccc2F)CC1
InChIInChI=1S/C14H19FN2O2/c1-2-16-7-9-17(10-8-16)13(14(18)19)11-5-3-4-6-12(11)15/h3-6,13H,2,7-10H2,1H3,(H,18,19)
InChIKeyVOURXILCCMKCAG-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.59
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid

2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid (PubChem CID 84746417) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid
PubChem CID84746417
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid
SMILESCCN1CCN(C(C(=O)O)c2ccccc2F)CC1
InChIInChI=1S/C14H19FN2O2/c1-2-16-7-9-17(10-8-16)13(14(18)19)11-5-3-4-6-12(11)15/h3-6,13H,2,7-10H2,1H3,(H,18,19)
InChIKeyVOURXILCCMKCAG-UHFFFAOYSA-N
XLogP1.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 2762218
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510
(2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid
CID 97206232
(2R)-2-(2,5-difluorophenyl)-2-(4-propyl-1,4-diazepan-1-yl)acetic acid
CID 99973199
2-(4-ethyl-1,4-diazepan-1-yl)-1-(2-fluorophenyl)ethanol
CID 111102980
2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid
CID 83979248
2-(4-ethylpiperazin-1-yl)-6-fluorobenzoic acid
CID 79522441
(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-fluorophenyl)acetic acid
CID 141122173
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide
CID 122131852
2-(4-ethylpiperazin-1-yl)-2-(4-nitrophenyl)acetic acid
CID 84751162
1-ethyl-N-[(1R)-1-(2-fluorophenyl)propyl]piperidin-4-amine
CID 99717003
(2R)-2-(2-methylsulfanylphenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]acetic acid
CID 97193072

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid (CID 84746417) is 2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid is CCN1CCN(C(C(=O)O)c2ccccc2F)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid?
The InChIKey is VOURXILCCMKCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-2-16-7-9-17(10-8-16)13(14(18)19)11-5-3-4-6-12(11)15/h3-6,13H,2,7-10H2,1H3,(H,18,19).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid?
2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid has a molecular weight of 266.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid is sourced from PubChem (CID 84746417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).