1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid

C13H16FNO3 — CID 178133859

IUPAC1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2ccc(F)cc2O)C1
InChIInChI=1S/C13H16FNO3/c14-11-4-3-9(12(16)6-11)7-15-5-1-2-10(8-15)13(17)18/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18)
InChIKeyTYUUPXLPCGZGAB-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.83
Rot. Bonds3

About 1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid

1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 178133859) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID178133859
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2ccc(F)cc2O)C1
InChIInChI=1S/C13H16FNO3/c14-11-4-3-9(12(16)6-11)7-15-5-1-2-10(8-15)13(17)18/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18)
InChIKeyTYUUPXLPCGZGAB-UHFFFAOYSA-N
XLogP1.83
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-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

1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 4555188
(3S)-1-[(2,5-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 24904996
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide
CID 63288757
1-[(2-cyano-4-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63289430
(3R)-1-[(5-bromo-3-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 166268296
1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 43440909
1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 43440688
1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 122040854
(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904832
methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 113345079
1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
CID 43440689
ethyl (3R)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763743

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid (CID 178133859) is 1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(Cc2ccc(F)cc2O)C1.
What is the InChIKey of 1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is TYUUPXLPCGZGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-11-4-3-9(12(16)6-11)7-15-5-1-2-10(8-15)13(17)18/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18).
What are the key properties of 1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid?
1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 253.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 178133859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).