4-fluoro-4-(2,4,5-trimethylphenyl)piperidine

C14H20FN — CID 112563237

IUPAC4-fluoro-4-(2,4,5-trimethylphenyl)piperidine
SMILESCc1cc(C)c(C2(F)CCNCC2)cc1C
InChIInChI=1S/C14H20FN/c1-10-8-12(3)13(9-11(10)2)14(15)4-6-16-7-5-14/h8-9,16H,4-7H2,1-3H3
InChIKeyROZQNZALJFKKAE-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.16
Rot. Bonds1

About 4-fluoro-4-(2,4,5-trimethylphenyl)piperidine

4-fluoro-4-(2,4,5-trimethylphenyl)piperidine (PubChem CID 112563237) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-fluoro-4-(2,4,5-trimethylphenyl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-(2,4,5-trimethylphenyl)piperidine
PubChem CID112563237
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name4-fluoro-4-(2,4,5-trimethylphenyl)piperidine
SMILESCc1cc(C)c(C2(F)CCNCC2)cc1C
InChIInChI=1S/C14H20FN/c1-10-8-12(3)13(9-11(10)2)14(15)4-6-16-7-5-14/h8-9,16H,4-7H2,1-3H3
InChIKeyROZQNZALJFKKAE-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,5-dimethylphenyl)-4-fluoropiperidine
CID 112563134
3-fluoro-3-(2,4,5-trimethylphenyl)piperidine
CID 112562991
4-fluoro-4-(2-methylphenyl)piperidine
CID 69232265
3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine
CID 112564133
4-(2,4-difluorophenyl)-4-fluoropiperidine
CID 71239192
(3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine
CID 98774589
4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine
CID 91662828
4-fluoro-4-(3-methylphenyl)azepane
CID 103984030
2-(5,6-dimethylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanol
CID 83980539
2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine
CID 66467187
3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol
CID 80699117
1-(2,4,5-trimethylphenyl)cycloheptan-1-ol
CID 64985087

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(2,4,5-trimethylphenyl)piperidine?
The IUPAC name of 4-fluoro-4-(2,4,5-trimethylphenyl)piperidine (CID 112563237) is 4-fluoro-4-(2,4,5-trimethylphenyl)piperidine.
What is the SMILES notation for 4-fluoro-4-(2,4,5-trimethylphenyl)piperidine?
The canonical SMILES for 4-fluoro-4-(2,4,5-trimethylphenyl)piperidine is Cc1cc(C)c(C2(F)CCNCC2)cc1C.
What is the InChIKey of 4-fluoro-4-(2,4,5-trimethylphenyl)piperidine?
The InChIKey is ROZQNZALJFKKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-8-12(3)13(9-11(10)2)14(15)4-6-16-7-5-14/h8-9,16H,4-7H2,1-3H3.
What are the key properties of 4-fluoro-4-(2,4,5-trimethylphenyl)piperidine?
4-fluoro-4-(2,4,5-trimethylphenyl)piperidine has a molecular weight of 221.32 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(2,4,5-trimethylphenyl)piperidine is sourced from PubChem (CID 112563237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).