5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-carboxylic acid

C14H15F4NO2 — CID 68761819

IUPAC5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-carboxylic acid
SMILESCN1CC(C(=O)O)CC(c2ccc(C(F)(F)F)cc2F)C1
InChIInChI=1S/C14H15F4NO2/c1-19-6-8(4-9(7-19)13(20)21)11-3-2-10(5-12(11)15)14(16,17)18/h2-3,5,8-9H,4,6-7H2,1H3,(H,20,21)
InChIKeyNWWJBMIKKDPEKP-UHFFFAOYSA-N
MW305.27 g/mol
LogP2.96
Rot. Bonds2

About 5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-carboxylic acid

5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-carboxylic acid (PubChem CID 68761819) has the molecular formula C14H15F4NO2 and a molecular weight of 305.27 g/mol. Its IUPAC name is 5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-carboxylic acid
PubChem CID68761819
Molecular FormulaC14H15F4NO2
Molecular Weight305.27 g/mol
Exact Mass305.10
IUPAC Name5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-carboxylic acid
SMILESCN1CC(C(=O)O)CC(c2ccc(C(F)(F)F)cc2F)C1
InChIInChI=1S/C14H15F4NO2/c1-19-6-8(4-9(7-19)13(20)21)11-3-2-10(5-12(11)15)14(16,17)18/h2-3,5,8-9H,4,6-7H2,1H3,(H,20,21)
InChIKeyNWWJBMIKKDPEKP-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-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

5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 58116564
1-[ethyl(2-sulfanylethyl)carbamoyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid
CID 163708721
2-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxylic acid
CID 66732508
1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 134162476
(1S,5R)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane
CID 124522690
chloromethane;2-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-dimethylpiperidine-4-carboxylic acid;2-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxylic acid
CID 162083073
2-[2-methyl-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid;hydrochloride
CID 140555403
1-(3-hydroxypyrrolidine-1-carbonyl)-5-[3-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid
CID 58002186
2-fluoro-1-[(1S,2R)-2-propan-2-ylcyclopropyl]-4-(trifluoromethyl)benzene
CID 167340103
3-(4-cyclopropyl-3-fluorophenyl)-3-methylbutanoic acid
CID 117344907
1-[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122106140
1-[2,2-difluoro-2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119811

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-carboxylic acid?
The IUPAC name of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-carboxylic acid (CID 68761819) is 5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-carboxylic acid is CN1CC(C(=O)O)CC(c2ccc(C(F)(F)F)cc2F)C1.
What is the InChIKey of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-carboxylic acid?
The InChIKey is NWWJBMIKKDPEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO2/c1-19-6-8(4-9(7-19)13(20)21)11-3-2-10(5-12(11)15)14(16,17)18/h2-3,5,8-9H,4,6-7H2,1H3,(H,20,21).
What are the key properties of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-carboxylic acid?
5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-carboxylic acid has a molecular weight of 305.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 68761819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).