2-(3-fluorophenyl)-2-piperidin-2-ylacetic acid

C13H16FNO2 — CID 10585947

IUPAC2-(3-fluorophenyl)-2-piperidin-2-ylacetic acid
SMILESO=C(O)C(c1cccc(F)c1)C1CCCCN1
InChIInChI=1S/C13H16FNO2/c14-10-5-3-4-9(8-10)12(13(16)17)11-6-1-2-7-15-11/h3-5,8,11-12,15H,1-2,6-7H2,(H,16,17)
InChIKeyOZWHXTSTOZERGM-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.14
Rot. Bonds3

About 2-(3-fluorophenyl)-2-piperidin-2-ylacetic acid

2-(3-fluorophenyl)-2-piperidin-2-ylacetic acid (PubChem CID 10585947) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-piperidin-2-ylacetic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-piperidin-2-ylacetic acid
PubChem CID10585947
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(3-fluorophenyl)-2-piperidin-2-ylacetic acid
SMILESO=C(O)C(c1cccc(F)c1)C1CCCCN1
InChIInChI=1S/C13H16FNO2/c14-10-5-3-4-9(8-10)12(13(16)17)11-6-1-2-7-15-11/h3-5,8,11-12,15H,1-2,6-7H2,(H,16,17)
InChIKeyOZWHXTSTOZERGM-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluorophenyl)-2-piperidin-2-ylacetic 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

Methylphenidate
CID 4158
Focalin
CID 154100
Methylphenidate Hydrochloride
CID 9280
Dexmethylphenidate
CID 154101
Ethylphenidate
CID 3080846
2-Piperidineacetic acid, alpha-phenyl-
CID 86863
4-Fluoromethylphenidate
CID 52944002
L-Threo-methylphenidate
CID 10657292
L-threo-Methylphenidate hydrochloride
CID 45259401
Methyl (R)-phenyl((S)-piperidin-2-yl)acetate
CID 3040629
L-erythro-Methylphenidate Hydrochloride
CID 10199290
Lactam
CID 53982816

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-piperidin-2-ylacetic acid?
The IUPAC name of 2-(3-fluorophenyl)-2-piperidin-2-ylacetic acid (CID 10585947) is 2-(3-fluorophenyl)-2-piperidin-2-ylacetic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-2-piperidin-2-ylacetic acid?
The canonical SMILES for 2-(3-fluorophenyl)-2-piperidin-2-ylacetic acid is O=C(O)C(c1cccc(F)c1)C1CCCCN1.
What is the InChIKey of 2-(3-fluorophenyl)-2-piperidin-2-ylacetic acid?
The InChIKey is OZWHXTSTOZERGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-10-5-3-4-9(8-10)12(13(16)17)11-6-1-2-7-15-11/h3-5,8,11-12,15H,1-2,6-7H2,(H,16,17).
What are the key properties of 2-(3-fluorophenyl)-2-piperidin-2-ylacetic acid?
2-(3-fluorophenyl)-2-piperidin-2-ylacetic acid has a molecular weight of 237.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-piperidin-2-ylacetic acid is sourced from PubChem (CID 10585947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).