2-benzyl-5-fluoropiperidine-1-carboxylic acid

C13H16FNO2 — CID 175168412

IUPAC2-benzyl-5-fluoropiperidine-1-carboxylic acid
SMILESO=C(O)N1CC(F)CCC1Cc1ccccc1
InChIInChI=1S/C13H16FNO2/c14-11-6-7-12(15(9-11)13(16)17)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,17)
InChIKeyIAGDBTIZDYVKHH-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.71
Rot. Bonds2

About 2-benzyl-5-fluoropiperidine-1-carboxylic acid

2-benzyl-5-fluoropiperidine-1-carboxylic acid (PubChem CID 175168412) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-benzyl-5-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-5-fluoropiperidine-1-carboxylic acid
PubChem CID175168412
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-benzyl-5-fluoropiperidine-1-carboxylic acid
SMILESO=C(O)N1CC(F)CCC1Cc1ccccc1
InChIInChI=1S/C13H16FNO2/c14-11-6-7-12(15(9-11)13(16)17)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,17)
InChIKeyIAGDBTIZDYVKHH-UHFFFAOYSA-N
XLogP2.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-benzyl-5-fluoropiperidine-1-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

2-benzyl-5-methylpiperidine-1-carboxylic acid
CID 175023427
2-benzyl-5-formylpiperidine-1-carboxylic acid
CID 175069884
4-benzyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 70895994
2-benzyl-4-methylpiperidine-1-carboxylic acid
CID 175595990
(2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 178194232
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
(2S,4R)-2-(benzylcarbamoyl)-4-fluoropyrrolidine-1-carboxylic acid
CID 126615821
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
benzyl 2-cyano-5-fluoropiperidine-1-carboxylate
CID 83855025
(2S)-2,4-dibenzyl-5,5-dimethylpiperazine-1-carboxylic acid
CID 90977597
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328
(2R)-2-benzyl-1-methylaziridine
CID 87174257

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 2-benzyl-5-fluoropiperidine-1-carboxylic acid (CID 175168412) is 2-benzyl-5-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 2-benzyl-5-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 2-benzyl-5-fluoropiperidine-1-carboxylic acid is O=C(O)N1CC(F)CCC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-fluoropiperidine-1-carboxylic acid?
The InChIKey is IAGDBTIZDYVKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-6-7-12(15(9-11)13(16)17)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,17).
What are the key properties of 2-benzyl-5-fluoropiperidine-1-carboxylic acid?
2-benzyl-5-fluoropiperidine-1-carboxylic acid has a molecular weight of 237.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 175168412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).