1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride

C13H17ClFNO2 — CID 2783017

IUPAC1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C13H16FNO2.ClH/c14-12-3-1-2-10(8-12)9-15-6-4-11(5-7-15)13(16)17;/h1-3,8,11H,4-7,9H2,(H,16,17);1H
InChIKeyWARIOFWBPVKCMR-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.54
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride

1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride (PubChem CID 2783017) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
PubChem CID2783017
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C13H16FNO2.ClH/c14-12-3-1-2-10(8-12)9-15-6-4-11(5-7-15)13(16)17;/h1-3,8,11H,4-7,9H2,(H,16,17);1H
InChIKeyWARIOFWBPVKCMR-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride (CID 2783017) is 1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is WARIOFWBPVKCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2.ClH/c14-12-3-1-2-10(8-12)9-15-6-4-11(5-7-15)13(16)17;/h1-3,8,11H,4-7,9H2,(H,16,17);1H.
What are the key properties of 1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride?
1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 273.73 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 2783017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).