4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid

C13H16FNO2 — CID 105498925

IUPAC4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(CC2(F)CCCNC2)cc1
InChIInChI=1S/C13H16FNO2/c14-13(6-1-7-15-9-13)8-10-2-4-11(5-3-10)12(16)17/h2-5,15H,1,6-9H2,(H,16,17)
InChIKeyAKIDYENKLGGIPY-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.02
Rot. Bonds3

About 4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid

4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid (PubChem CID 105498925) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid
PubChem CID105498925
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(CC2(F)CCCNC2)cc1
InChIInChI=1S/C13H16FNO2/c14-13(6-1-7-15-9-13)8-10-2-4-11(5-3-10)12(16)17/h2-5,15H,1,6-9H2,(H,16,17)
InChIKeyAKIDYENKLGGIPY-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid?
The IUPAC name of 4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid (CID 105498925) is 4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid?
The canonical SMILES for 4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid is O=C(O)c1ccc(CC2(F)CCCNC2)cc1.
What is the InChIKey of 4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid?
The InChIKey is AKIDYENKLGGIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-13(6-1-7-15-9-13)8-10-2-4-11(5-3-10)12(16)17/h2-5,15H,1,6-9H2,(H,16,17).
What are the key properties of 4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid?
4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid has a molecular weight of 237.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid is sourced from PubChem (CID 105498925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).