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

C13H16FNO2 — CID 112574456

IUPAC6-(4-fluoro-2-methylphenyl)piperidine-2-carboxylic acid
SMILESCc1cc(F)ccc1C1CCCC(C(=O)O)N1
InChIInChI=1S/C13H16FNO2/c1-8-7-9(14)5-6-10(8)11-3-2-4-12(15-11)13(16)17/h5-7,11-12,15H,2-4H2,1H3,(H,16,17)
InChIKeyHBRYFZWLLGTTPY-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.40
Rot. Bonds2

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

6-(4-fluoro-2-methylphenyl)piperidine-2-carboxylic acid (PubChem CID 112574456) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 6-(4-fluoro-2-methylphenyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluoro-2-methylphenyl)piperidine-2-carboxylic acid
PubChem CID112574456
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name6-(4-fluoro-2-methylphenyl)piperidine-2-carboxylic acid
SMILESCc1cc(F)ccc1C1CCCC(C(=O)O)N1
InChIInChI=1S/C13H16FNO2/c1-8-7-9(14)5-6-10(8)11-3-2-4-12(15-11)13(16)17/h5-7,11-12,15H,2-4H2,1H3,(H,16,17)
InChIKeyHBRYFZWLLGTTPY-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

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Related Compounds

6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid
CID 107129376
6-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 105375148
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 94361039
2-(4-fluoro-2-methylphenyl)cyclopentan-1-ol
CID 62790245
(3S,4S)-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxylic acid
CID 135353805
methyl 6-(3-fluorophenyl)piperidine-2-carboxylate
CID 117168179
methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate
CID 24770518
6-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-2-carboxylic acid
CID 107290045
6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid
CID 82383334
6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid
CID 82382749
5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid
CID 112693441

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methylphenyl)piperidine-2-carboxylic acid?
The IUPAC name of 6-(4-fluoro-2-methylphenyl)piperidine-2-carboxylic acid (CID 112574456) is 6-(4-fluoro-2-methylphenyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 6-(4-fluoro-2-methylphenyl)piperidine-2-carboxylic acid?
The canonical SMILES for 6-(4-fluoro-2-methylphenyl)piperidine-2-carboxylic acid is Cc1cc(F)ccc1C1CCCC(C(=O)O)N1.
What is the InChIKey of 6-(4-fluoro-2-methylphenyl)piperidine-2-carboxylic acid?
The InChIKey is HBRYFZWLLGTTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8-7-9(14)5-6-10(8)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-(4-fluoro-2-methylphenyl)piperidine-2-carboxylic acid?
6-(4-fluoro-2-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-(4-fluoro-2-methylphenyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 112574456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).