3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid

C13H14FNO4 — CID 122512292

IUPAC3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid
SMILESO=Cc1ccc(F)cc1OC1CCCN(C(=O)O)C1
InChIInChI=1S/C13H14FNO4/c14-10-4-3-9(8-16)12(6-10)19-11-2-1-5-15(7-11)13(17)18/h3-4,6,8,11H,1-2,5,7H2,(H,17,18)
InChIKeyPJSSTPQRIPPXIU-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.16
Rot. Bonds3

About 3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid

3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid (PubChem CID 122512292) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid
PubChem CID122512292
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid
SMILESO=Cc1ccc(F)cc1OC1CCCN(C(=O)O)C1
InChIInChI=1S/C13H14FNO4/c14-10-4-3-9(8-16)12(6-10)19-11-2-1-5-15(7-11)13(17)18/h3-4,6,8,11H,1-2,5,7H2,(H,17,18)
InChIKeyPJSSTPQRIPPXIU-UHFFFAOYSA-N
XLogP2.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(2-carboxy-5-fluorophenoxy)piperidine-1-carboxylic acid
CID 122512313
tert-butyl 3-(5-fluoro-2-piperazin-1-ylphenoxy)piperidine-1-carboxylate
CID 58817428
4-fluoro-2-[[(1S,5R)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzaldehyde
CID 121333337
(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
CID 110605378
tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
CID 126573698
3-(4-methylphenoxy)piperidine-1-carboxylic acid
CID 175309673
(3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid
CID 175134415
4-(2-formylphenoxy)-3-(trifluoromethyl)piperidine-1-carboxylic acid
CID 174806304
(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 122256291
(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 68978029
3-tert-butyl-4-(4-fluoro-2-formylphenyl)piperazine-1-carboxylic acid
CID 174212084
7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 110614922

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid?
The IUPAC name of 3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid (CID 122512292) is 3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid is O=Cc1ccc(F)cc1OC1CCCN(C(=O)O)C1.
What is the InChIKey of 3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid?
The InChIKey is PJSSTPQRIPPXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c14-10-4-3-9(8-16)12(6-10)19-11-2-1-5-15(7-11)13(17)18/h3-4,6,8,11H,1-2,5,7H2,(H,17,18).
What are the key properties of 3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid?
3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-formylphenoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 122512292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).