5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid

C16H21FN2O2 — CID 63170206

IUPAC5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1cc(F)ccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H21FN2O2/c17-12-4-5-15(14(10-12)16(20)21)19-9-6-13(11-19)18-7-2-1-3-8-18/h4-5,10,13H,1-3,6-9,11H2,(H,20,21)
InChIKeyXZZNRAMBQLOWAW-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.59
Rot. Bonds3

About 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid

5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid (PubChem CID 63170206) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid
PubChem CID63170206
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1cc(F)ccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H21FN2O2/c17-12-4-5-15(14(10-12)16(20)21)19-9-6-13(11-19)18-7-2-1-3-8-18/h4-5,10,13H,1-3,6-9,11H2,(H,20,21)
InChIKeyXZZNRAMBQLOWAW-UHFFFAOYSA-N
XLogP2.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168620
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-fluorophenyl]ethanone
CID 63150976
1-[1-[2-(bromomethyl)-4-fluorophenyl]pyrrolidin-3-yl]piperidine
CID 107083325
[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63170949
5-fluoro-2-(4-methylpiperidin-1-yl)benzoic acid
CID 43312941
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-bromobenzoic acid
CID 114895895
1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone
CID 63170198
5-[(3-fluorophenyl)sulfonylamino]-2-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid
CID 50766797
(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 75977527
3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzaldehyde
CID 63170115
4-amino-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzoic acid
CID 82796630
2-(4-fluoro-2-methoxyphenyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926321

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid?
The IUPAC name of 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid (CID 63170206) is 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid?
The canonical SMILES for 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid is O=C(O)c1cc(F)ccc1N1CCC(N2CCCCC2)C1.
What is the InChIKey of 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid?
The InChIKey is XZZNRAMBQLOWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-12-4-5-15(14(10-12)16(20)21)19-9-6-13(11-19)18-7-2-1-3-8-18/h4-5,10,13H,1-3,6-9,11H2,(H,20,21).
What are the key properties of 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid?
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid has a molecular weight of 292.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid is sourced from PubChem (CID 63170206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).