2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid

C15H19F2NO3 — CID 65066035

IUPAC2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
SMILESCC(c1cc(F)ccc1F)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C15H19F2NO3/c1-10(13-8-11(16)2-3-14(13)17)18-6-4-12(5-7-18)21-9-15(19)20/h2-3,8,10,12H,4-7,9H2,1H3,(H,19,20)
InChIKeyRQLPGQYPTIZOFK-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.59
Rot. Bonds5

About 2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid

2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid (PubChem CID 65066035) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
PubChem CID65066035
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Name2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
SMILESCC(c1cc(F)ccc1F)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C15H19F2NO3/c1-10(13-8-11(16)2-3-14(13)17)18-6-4-12(5-7-18)21-9-15(19)20/h2-3,8,10,12H,4-7,9H2,1H3,(H,19,20)
InChIKeyRQLPGQYPTIZOFK-UHFFFAOYSA-N
XLogP2.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid (CID 65066035) is 2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid is CC(c1cc(F)ccc1F)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is RQLPGQYPTIZOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-10(13-8-11(16)2-3-14(13)17)18-6-4-12(5-7-18)21-9-15(19)20/h2-3,8,10,12H,4-7,9H2,1H3,(H,19,20).
What are the key properties of 2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid?
2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 299.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 65066035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).