3-fluoro-2-piperidin-1-ylbenzoic acid

C12H14FNO2 — CID 62649816

IUPAC3-fluoro-2-piperidin-1-ylbenzoic acid
SMILESO=C(O)c1cccc(F)c1N1CCCCC1
InChIInChI=1S/C12H14FNO2/c13-10-6-4-5-9(12(15)16)11(10)14-7-2-1-3-8-14/h4-6H,1-3,7-8H2,(H,15,16)
InChIKeyPCBSJWUQLSOVEL-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.51
Rot. Bonds2

About 3-fluoro-2-piperidin-1-ylbenzoic acid

3-fluoro-2-piperidin-1-ylbenzoic acid (PubChem CID 62649816) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-fluoro-2-piperidin-1-ylbenzoic acid.

Molecular Properties

Compound Name3-fluoro-2-piperidin-1-ylbenzoic acid
PubChem CID62649816
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name3-fluoro-2-piperidin-1-ylbenzoic acid
SMILESO=C(O)c1cccc(F)c1N1CCCCC1
InChIInChI=1S/C12H14FNO2/c13-10-6-4-5-9(12(15)16)11(10)14-7-2-1-3-8-14/h4-6H,1-3,7-8H2,(H,15,16)
InChIKeyPCBSJWUQLSOVEL-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-2-piperidin-1-ylbenzoic 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-fluoro-2-piperidin-1-ylbenzoic acid?
The IUPAC name of 3-fluoro-2-piperidin-1-ylbenzoic acid (CID 62649816) is 3-fluoro-2-piperidin-1-ylbenzoic acid.
What is the SMILES notation for 3-fluoro-2-piperidin-1-ylbenzoic acid?
The canonical SMILES for 3-fluoro-2-piperidin-1-ylbenzoic acid is O=C(O)c1cccc(F)c1N1CCCCC1.
What is the InChIKey of 3-fluoro-2-piperidin-1-ylbenzoic acid?
The InChIKey is PCBSJWUQLSOVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-6-4-5-9(12(15)16)11(10)14-7-2-1-3-8-14/h4-6H,1-3,7-8H2,(H,15,16).
What are the key properties of 3-fluoro-2-piperidin-1-ylbenzoic acid?
3-fluoro-2-piperidin-1-ylbenzoic acid has a molecular weight of 223.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-piperidin-1-ylbenzoic acid is sourced from PubChem (CID 62649816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).