3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid

C13H14FNO4 — CID 91485111

IUPAC3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid
SMILESO=C(O)c1ccc(C2CCCN(C(=O)O)C2)cc1F
InChIInChI=1S/C13H14FNO4/c14-11-6-8(3-4-10(11)12(16)17)9-2-1-5-15(7-9)13(18)19/h3-4,6,9H,1-2,5,7H2,(H,16,17)(H,18,19)
InChIKeyOMWUNHKSUBOVSW-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.38
Rot. Bonds2

About 3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid

3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid (PubChem CID 91485111) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid
PubChem CID91485111
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid
SMILESO=C(O)c1ccc(C2CCCN(C(=O)O)C2)cc1F
InChIInChI=1S/C13H14FNO4/c14-11-6-8(3-4-10(11)12(16)17)9-2-1-5-15(7-9)13(18)19/h3-4,6,9H,1-2,5,7H2,(H,16,17)(H,18,19)
InChIKeyOMWUNHKSUBOVSW-UHFFFAOYSA-N
XLogP2.38
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid
CID 175474650
2-fluoro-4-(4-phenylcyclohexyl)benzoic acid
CID 18991194
4-(3-cyclobutylphenyl)-2-fluorobenzoic acid
CID 114605034
[3-(4-chlorophenyl)azepan-1-yl]-(2,4-difluorophenyl)methanone
CID 121146583
3-[4-methyl-3-(trifluoromethylsulfonylamino)phenyl]piperidine-1-carboxylic acid
CID 18448491
3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid
CID 122512313
5-[3-(3,4-difluorophenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 167824467
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
2-methyl-4-[1-[[4-(trifluoromethyl)phenyl]methoxycarbonyl]piperidin-3-yl]benzoic acid
CID 68884147
3-[3-(2-carboxypropan-2-yloxy)phenyl]piperidine-1-carboxylic acid
CID 18448442
(3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide
CID 173469704
1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone
CID 166143852

Frequently Asked Questions

What is the IUPAC name of 3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid (CID 91485111) is 3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid is O=C(O)c1ccc(C2CCCN(C(=O)O)C2)cc1F.
What is the InChIKey of 3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid?
The InChIKey is OMWUNHKSUBOVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c14-11-6-8(3-4-10(11)12(16)17)9-2-1-5-15(7-9)13(18)19/h3-4,6,9H,1-2,5,7H2,(H,16,17)(H,18,19).
What are the key properties of 3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid?
3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 91485111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).