2-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid

C14H18FNO2 — CID 22733843

IUPAC2-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CNCCC1c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-9(14(17)18)13-8-16-7-6-12(13)10-2-4-11(15)5-3-10/h2-5,9,12-13,16H,6-8H2,1H3,(H,17,18)
InChIKeyJDLAIAVUOHSQMF-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.24
Rot. Bonds3

About 2-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid

2-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid (PubChem CID 22733843) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid
PubChem CID22733843
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CNCCC1c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-9(14(17)18)13-8-16-7-6-12(13)10-2-4-11(15)5-3-10/h2-5,9,12-13,16H,6-8H2,1H3,(H,17,18)
InChIKeyJDLAIAVUOHSQMF-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid (CID 22733843) is 2-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid is CC(C(=O)O)C1CNCCC1c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid?
The InChIKey is JDLAIAVUOHSQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9(14(17)18)13-8-16-7-6-12(13)10-2-4-11(15)5-3-10/h2-5,9,12-13,16H,6-8H2,1H3,(H,17,18).
What are the key properties of 2-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid?
2-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid has a molecular weight of 251.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 22733843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).