4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine

C12H14F3N — CID 90039118

IUPAC4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine
SMILESFc1ccc([C@@H](F)C2CCNCC2)c(F)c1
InChIInChI=1S/C12H14F3N/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,16H,3-6H2/t12-/m0/s1
InChIKeyOAQDICWYBGDKHG-LBPRGKRZSA-N
MW229.24 g/mol
LogP2.97
Rot. Bonds2

About 4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine

4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine (PubChem CID 90039118) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine.

Molecular Properties

Compound Name4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine
PubChem CID90039118
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine
SMILESFc1ccc([C@@H](F)C2CCNCC2)c(F)c1
InChIInChI=1S/C12H14F3N/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,16H,3-6H2/t12-/m0/s1
InChIKeyOAQDICWYBGDKHG-LBPRGKRZSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine 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

4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride
CID 90039406
4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine
CID 112563629
1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine
CID 82304452
(2,5-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287809
(R)-(4-fluoro-2-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314219
(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314322
4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine
CID 112563707
(5-fluoro-2-methylphenyl)-piperidin-4-ylmethanol
CID 80560260
(R)-(2-bromo-4-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314194
4-[(4-bromo-3-chloro-2-fluorophenyl)-fluoromethyl]piperidine
CID 106763888
N-[1-(2,4-difluorophenyl)ethyl]-N-methylazepan-4-amine
CID 107172162
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine?
The IUPAC name of 4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine (CID 90039118) is 4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine.
What is the SMILES notation for 4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine?
The canonical SMILES for 4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine is Fc1ccc([C@@H](F)C2CCNCC2)c(F)c1.
What is the InChIKey of 4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine?
The InChIKey is OAQDICWYBGDKHG-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14F3N/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,16H,3-6H2/t12-/m0/s1.
What are the key properties of 4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine?
4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine has a molecular weight of 229.24 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine is sourced from PubChem (CID 90039118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).