3-fluoro-3-(2,4,5-trimethylphenyl)piperidine

C14H20FN — CID 112562991

IUPAC3-fluoro-3-(2,4,5-trimethylphenyl)piperidine
SMILESCc1cc(C)c(C2(F)CCCNC2)cc1C
InChIInChI=1S/C14H20FN/c1-10-7-12(3)13(8-11(10)2)14(15)5-4-6-16-9-14/h7-8,16H,4-6,9H2,1-3H3
InChIKeyPWROVDVYJCICCM-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.16
Rot. Bonds1

About 3-fluoro-3-(2,4,5-trimethylphenyl)piperidine

3-fluoro-3-(2,4,5-trimethylphenyl)piperidine (PubChem CID 112562991) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-fluoro-3-(2,4,5-trimethylphenyl)piperidine.

Molecular Properties

Compound Name3-fluoro-3-(2,4,5-trimethylphenyl)piperidine
PubChem CID112562991
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name3-fluoro-3-(2,4,5-trimethylphenyl)piperidine
SMILESCc1cc(C)c(C2(F)CCCNC2)cc1C
InChIInChI=1S/C14H20FN/c1-10-7-12(3)13(8-11(10)2)14(15)5-4-6-16-9-14/h7-8,16H,4-6,9H2,1-3H3
InChIKeyPWROVDVYJCICCM-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-fluoro-4-(2,4,5-trimethylphenyl)piperidine
CID 112563237
3-fluoro-3-(2-methylphenyl)piperidine
CID 83818332
3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine
CID 83825082
(3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine
CID 98774589
3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine
CID 112564133
4-(3-fluoropiperidin-3-yl)-1H-indole
CID 112563033
3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine
CID 106763885
5-(3-fluoropiperidin-3-yl)-3-methyl-1,2,4-oxadiazole
CID 46917700
5-[(3R)-3-fluoropiperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 46917772
2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine
CID 66467187
1-(2,4,5-trimethylphenyl)cycloheptan-1-ol
CID 64985087
1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone
CID 105477579

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2,4,5-trimethylphenyl)piperidine?
The IUPAC name of 3-fluoro-3-(2,4,5-trimethylphenyl)piperidine (CID 112562991) is 3-fluoro-3-(2,4,5-trimethylphenyl)piperidine.
What is the SMILES notation for 3-fluoro-3-(2,4,5-trimethylphenyl)piperidine?
The canonical SMILES for 3-fluoro-3-(2,4,5-trimethylphenyl)piperidine is Cc1cc(C)c(C2(F)CCCNC2)cc1C.
What is the InChIKey of 3-fluoro-3-(2,4,5-trimethylphenyl)piperidine?
The InChIKey is PWROVDVYJCICCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-7-12(3)13(8-11(10)2)14(15)5-4-6-16-9-14/h7-8,16H,4-6,9H2,1-3H3.
What are the key properties of 3-fluoro-3-(2,4,5-trimethylphenyl)piperidine?
3-fluoro-3-(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 3-fluoro-3-(2,4,5-trimethylphenyl)piperidine is sourced from PubChem (CID 112562991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).