2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid

C13H16FNO3 — CID 170886796

IUPAC2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(OC2CCCNC2)c(F)c1
InChIInChI=1S/C13H16FNO3/c14-11-6-9(7-13(16)17)3-4-12(11)18-10-2-1-5-15-8-10/h3-4,6,10,15H,1-2,5,7-8H2,(H,16,17)
InChIKeyGIHVQKXBGYUETM-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.58
Rot. Bonds4

About 2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid

2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid (PubChem CID 170886796) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid
PubChem CID170886796
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(OC2CCCNC2)c(F)c1
InChIInChI=1S/C13H16FNO3/c14-11-6-9(7-13(16)17)3-4-12(11)18-10-2-1-5-15-8-10/h3-4,6,10,15H,1-2,5,7-8H2,(H,16,17)
InChIKeyGIHVQKXBGYUETM-UHFFFAOYSA-N
XLogP1.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid?
The IUPAC name of 2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid (CID 170886796) is 2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid?
The canonical SMILES for 2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid is O=C(O)Cc1ccc(OC2CCCNC2)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid?
The InChIKey is GIHVQKXBGYUETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-11-6-9(7-13(16)17)3-4-12(11)18-10-2-1-5-15-8-10/h3-4,6,10,15H,1-2,5,7-8H2,(H,16,17).
What are the key properties of 2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid?
2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid has a molecular weight of 253.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid is sourced from PubChem (CID 170886796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).