2-[4-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic acid

C20H22FNO3 — CID 19874348

IUPAC2-[4-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(OCc2ccccc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FNO3/c21-17-7-5-15(6-8-17)19-4-2-1-3-16(19)14-25-18-9-11-22(12-10-18)13-20(23)24/h1-8,18H,9-14H2,(H,23,24)
InChIKeyAAUQSQNKYLWVQX-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.56
Rot. Bonds6

About 2-[4-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic acid

2-[4-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic acid (PubChem CID 19874348) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[4-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic acid
PubChem CID19874348
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name2-[4-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(OCc2ccccc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FNO3/c21-17-7-5-15(6-8-17)19-4-2-1-3-16(19)14-25-18-9-11-22(12-10-18)13-20(23)24/h1-8,18H,9-14H2,(H,23,24)
InChIKeyAAUQSQNKYLWVQX-UHFFFAOYSA-N
XLogP3.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic 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-[4-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic acid (CID 19874348) is 2-[4-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(OCc2ccccc2-c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic acid?
The InChIKey is AAUQSQNKYLWVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c21-17-7-5-15(6-8-17)19-4-2-1-3-16(19)14-25-18-9-11-22(12-10-18)13-20(23)24/h1-8,18H,9-14H2,(H,23,24).
What are the key properties of 2-[4-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic acid?
2-[4-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic acid has a molecular weight of 343.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-yl]acetic acid is sourced from PubChem (CID 19874348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).