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

C14H19FN2O3 — CID 82345138

IUPAC2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
SMILESO=C(O)C(c1ccc(F)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C14H19FN2O3/c15-12-3-1-11(2-4-12)13(14(19)20)17-7-5-16(6-8-17)9-10-18/h1-4,13,18H,5-10H2,(H,19,20)
InChIKeySUNHEIXRRHYKFE-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.56
Rot. Bonds5

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

2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid (PubChem CID 82345138) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
PubChem CID82345138
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
SMILESO=C(O)C(c1ccc(F)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C14H19FN2O3/c15-12-3-1-11(2-4-12)13(14(19)20)17-7-5-16(6-8-17)9-10-18/h1-4,13,18H,5-10H2,(H,19,20)
InChIKeySUNHEIXRRHYKFE-UHFFFAOYSA-N
XLogP0.56
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
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-fluorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 25418490
(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide
CID 124514274
2-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetic acid
CID 54890531
N-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 52916738
(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
3-[4-[(2E,4E)-5-fluoro-1-(4-fluorophenyl)-2-methylpenta-2,4-dienyl]piperazin-1-yl]propan-1-ol
CID 154601811
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]acetic acid
CID 72895457
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 51629091
2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
CID 83978130
2-(4-cyclobutyloxyazepan-1-yl)-2-(4-fluorophenyl)acetic acid
CID 155953672

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid (CID 82345138) is 2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid is O=C(O)C(c1ccc(F)cc1)N1CCN(CCO)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid?
The InChIKey is SUNHEIXRRHYKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c15-12-3-1-11(2-4-12)13(14(19)20)17-7-5-16(6-8-17)9-10-18/h1-4,13,18H,5-10H2,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid?
2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid has a molecular weight of 282.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 82345138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).