6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid

C17H18FN3O2 — CID 72903456

IUPAC6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN(Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C17H18FN3O2/c18-14-4-1-3-13(11-14)12-20-7-9-21(10-8-20)16-6-2-5-15(19-16)17(22)23/h1-6,11H,7-10,12H2,(H,22,23)
InChIKeyQGGJCLJUELGKBI-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.24
Rot. Bonds4

About 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid

6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 72903456) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID72903456
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN(Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C17H18FN3O2/c18-14-4-1-3-13(11-14)12-20-7-9-21(10-8-20)16-6-2-5-15(19-16)17(22)23/h1-6,11H,7-10,12H2,(H,22,23)
InChIKeyQGGJCLJUELGKBI-UHFFFAOYSA-N
XLogP2.24
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

5,6,7,8-Tetrahydro-1,8-naphthyridine-2-carboxylic acid
CID 51358533
4-[[6-(4,4-Difluoro-1-piperidyl)-3-methyl-pyridine-2-carbonyl]amino]-3,5-dimethyl-benzoic acid
CID 86707361
6-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-methylpyridine-2-carboxylic acid
CID 117614487
6-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methylpyridine-2-carboxylic acid
CID 122181977
6-Methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carboxylic acid
CID 122182536
6-Methyl-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-4-carboxylic acid
CID 122182538
(4-Fluoro-3-hydroxyphenyl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 134143316
US10513493, Example 20
CID 118301993
6-(Morpholin-4-yl)pyridine-2-carboxylic acid
CID 2388921
2-((4-Fluoro-2-methylphenylamino)methyl)-6-morpholinoisonicotinic acid
CID 44138128
2-[Methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 152011580
US10513493, Example 24
CID 118301996

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid (CID 72903456) is 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCN(Cc3cccc(F)c3)CC2)n1.
What is the InChIKey of 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is QGGJCLJUELGKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-4-1-3-13(11-14)12-20-7-9-21(10-8-20)16-6-2-5-15(19-16)17(22)23/h1-6,11H,7-10,12H2,(H,22,23).
What are the key properties of 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid?
6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 72903456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).