4-(2,5-dimethylphenyl)-4-fluoropiperidine

C13H18FN — CID 112563134

IUPAC4-(2,5-dimethylphenyl)-4-fluoropiperidine
SMILESCc1ccc(C)c(C2(F)CCNCC2)c1
InChIInChI=1S/C13H18FN/c1-10-3-4-11(2)12(9-10)13(14)5-7-15-8-6-13/h3-4,9,15H,5-8H2,1-2H3
InChIKeyICRYAFXTIOMSLS-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.85
Rot. Bonds1

About 4-(2,5-dimethylphenyl)-4-fluoropiperidine

4-(2,5-dimethylphenyl)-4-fluoropiperidine (PubChem CID 112563134) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-4-fluoropiperidine.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-4-fluoropiperidine
PubChem CID112563134
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name4-(2,5-dimethylphenyl)-4-fluoropiperidine
SMILESCc1ccc(C)c(C2(F)CCNCC2)c1
InChIInChI=1S/C13H18FN/c1-10-3-4-11(2)12(9-10)13(14)5-7-15-8-6-13/h3-4,9,15H,5-8H2,1-2H3
InChIKeyICRYAFXTIOMSLS-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-4-(2,4,5-trimethylphenyl)piperidine
CID 112563237
4-fluoro-4-(2-methylphenyl)piperidine
CID 69232265
(3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine
CID 98774589
3,3-difluoro-5-methyl-1,2-dihydroindene
CID 84717285
4-fluoro-4-(3-methylphenyl)azepane
CID 103984030
3-(2,5-dimethylphenyl)-2-methylpyrrolidin-3-ol
CID 3051399
4-(2,4-difluorophenyl)-4-fluoropiperidine
CID 71239192
1,5-dimethylspiro[2H-indole-3,4'-piperidine]
CID 59466294
2-bromo-7-methylspiro[fluorene-9,4'-piperidine]
CID 122492124
1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone
CID 82289321
3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane
CID 117028752
2-(2,5-dimethylphenyl)-2-propan-2-ylpyrrolidine
CID 66465150

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-4-fluoropiperidine?
The IUPAC name of 4-(2,5-dimethylphenyl)-4-fluoropiperidine (CID 112563134) is 4-(2,5-dimethylphenyl)-4-fluoropiperidine.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-4-fluoropiperidine?
The canonical SMILES for 4-(2,5-dimethylphenyl)-4-fluoropiperidine is Cc1ccc(C)c(C2(F)CCNCC2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-4-fluoropiperidine?
The InChIKey is ICRYAFXTIOMSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10-3-4-11(2)12(9-10)13(14)5-7-15-8-6-13/h3-4,9,15H,5-8H2,1-2H3.
What are the key properties of 4-(2,5-dimethylphenyl)-4-fluoropiperidine?
4-(2,5-dimethylphenyl)-4-fluoropiperidine has a molecular weight of 207.29 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-4-fluoropiperidine is sourced from PubChem (CID 112563134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).