6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid

C13H16FNO2 — CID 107129376

IUPAC6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid
SMILESCc1ccc(C2CCCC(C(=O)O)N2)cc1F
InChIInChI=1S/C13H16FNO2/c1-8-5-6-9(7-10(8)14)11-3-2-4-12(15-11)13(16)17/h5-7,11-12,15H,2-4H2,1H3,(H,16,17)
InChIKeyAXAVYOQHBQVNDQ-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.40
Rot. Bonds2

About 6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid

6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid (PubChem CID 107129376) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid
PubChem CID107129376
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid
SMILESCc1ccc(C2CCCC(C(=O)O)N2)cc1F
InChIInChI=1S/C13H16FNO2/c1-8-5-6-9(7-10(8)14)11-3-2-4-12(15-11)13(16)17/h5-7,11-12,15H,2-4H2,1H3,(H,16,17)
InChIKeyAXAVYOQHBQVNDQ-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic 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

6-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-2-carboxylic acid
CID 107290045
6-(4-fluoro-2-methylphenyl)piperidine-2-carboxylic acid
CID 112574456
5-(3-fluoro-4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 112693405
6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid
CID 112574236
6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid
CID 112574328
(2R)-2-(3-fluoro-4-methylphenyl)azetidine
CID 130737796
6-thiophen-3-ylpiperidine-2-carboxylic acid
CID 112698967
6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 105375148
2-(3-fluoro-4-methylphenyl)cyclopentan-1-ol
CID 2759027
5-(2-fluoro-4,6-dimethylphenyl)pyrrolidine-2-carboxylic acid
CID 106882408
methyl 6-(3-fluorophenyl)piperidine-2-carboxylate
CID 117168179
6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid
CID 82383334

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid?
The IUPAC name of 6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid (CID 107129376) is 6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid?
The canonical SMILES for 6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid is Cc1ccc(C2CCCC(C(=O)O)N2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid?
The InChIKey is AXAVYOQHBQVNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8-5-6-9(7-10(8)14)11-3-2-4-12(15-11)13(16)17/h5-7,11-12,15H,2-4H2,1H3,(H,16,17).
What are the key properties of 6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid?
6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid has a molecular weight of 237.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107129376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).