3-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]propanoic acid

C15H21FN2O2 — CID 83129539

IUPAC3-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]propanoic acid
SMILESCC(c1ccc(F)cn1)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C15H21FN2O2/c1-11(14-4-3-13(16)10-17-14)18-8-6-12(7-9-18)2-5-15(19)20/h3-4,10-12H,2,5-9H2,1H3,(H,19,20)
InChIKeyKNRPWUPTJVYVFA-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.86
Rot. Bonds5

About 3-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]propanoic acid

3-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]propanoic acid (PubChem CID 83129539) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]propanoic acid
PubChem CID83129539
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]propanoic acid
SMILESCC(c1ccc(F)cn1)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C15H21FN2O2/c1-11(14-4-3-13(16)10-17-14)18-8-6-12(7-9-18)2-5-15(19)20/h3-4,10-12H,2,5-9H2,1H3,(H,19,20)
InChIKeyKNRPWUPTJVYVFA-UHFFFAOYSA-N
XLogP2.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]propanoic 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 3-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]propanoic acid (CID 83129539) is 3-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]propanoic acid is CC(c1ccc(F)cn1)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]propanoic acid?
The InChIKey is KNRPWUPTJVYVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11(14-4-3-13(16)10-17-14)18-8-6-12(7-9-18)2-5-15(19)20/h3-4,10-12H,2,5-9H2,1H3,(H,19,20).
What are the key properties of 3-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]propanoic acid?
3-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]propanoic acid has a molecular weight of 280.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 83129539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).