2-(3-fluoro-4-methoxyphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetic acid

C17H24FNO5 — CID 72872485

IUPAC2-(3-fluoro-4-methoxyphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetic acid
SMILESCOCCOC1CCN(C(C(=O)O)c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C17H24FNO5/c1-22-9-10-24-13-5-7-19(8-6-13)16(17(20)21)12-3-4-15(23-2)14(18)11-12/h3-4,11,13,16H,5-10H2,1-2H3,(H,20,21)
InChIKeyUBNAHWYZIAPUSO-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.09
Rot. Bonds8

About 2-(3-fluoro-4-methoxyphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetic acid

2-(3-fluoro-4-methoxyphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetic acid (PubChem CID 72872485) has the molecular formula C17H24FNO5 and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetic acid
PubChem CID72872485
Molecular FormulaC17H24FNO5
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetic acid
SMILESCOCCOC1CCN(C(C(=O)O)c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C17H24FNO5/c1-22-9-10-24-13-5-7-19(8-6-13)16(17(20)21)12-3-4-15(23-2)14(18)11-12/h3-4,11,13,16H,5-10H2,1-2H3,(H,20,21)
InChIKeyUBNAHWYZIAPUSO-UHFFFAOYSA-N
XLogP2.09
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetic acid?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetic acid (CID 72872485) is 2-(3-fluoro-4-methoxyphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetic acid is COCCOC1CCN(C(C(=O)O)c2ccc(OC)c(F)c2)CC1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetic acid?
The InChIKey is UBNAHWYZIAPUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO5/c1-22-9-10-24-13-5-7-19(8-6-13)16(17(20)21)12-3-4-15(23-2)14(18)11-12/h3-4,11,13,16H,5-10H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetic acid?
2-(3-fluoro-4-methoxyphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetic acid has a molecular weight of 341.38 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetic acid is sourced from PubChem (CID 72872485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).