4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine

C13H15F4N — CID 84806750

IUPAC4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFc1cccc(CC2CCNCC2)c1C(F)(F)F
InChIInChI=1S/C13H15F4N/c14-11-3-1-2-10(12(11)13(15,16)17)8-9-4-6-18-7-5-9/h1-3,9,18H,4-8H2
InChIKeyQTNJJRVLUYZTIL-UHFFFAOYSA-N
MW261.26 g/mol
LogP3.39
Rot. Bonds2

About 4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine

4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 84806750) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is 4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID84806750
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFc1cccc(CC2CCNCC2)c1C(F)(F)F
InChIInChI=1S/C13H15F4N/c14-11-3-1-2-10(12(11)13(15,16)17)8-9-4-6-18-7-5-9/h1-3,9,18H,4-8H2
InChIKeyQTNJJRVLUYZTIL-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Benzylpiperidine
CID 31738
4-Benzhydrylpiperidine
CID 88278
4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 197747
4-[(4-Fluorophenyl)methyl]piperidine hydrochloride
CID 17039492
4-(4-Fluoro-benzyl)-piperidine
CID 3699841
3-Phenylpiperidine hydrochloride
CID 17390008
4-Phenylpiperidine
CID 69873
Enefexine
CID 208916
4-[2-(Trifluoromethyl)phenyl]piperidine hydrochloride
CID 21936970
3-Phenylpiperidine
CID 107207
3-(3,4-Dimethylphenyl)piperidine
CID 10103976
3-(2,3-Dimethylphenyl)piperidine
CID 10679213

Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine (CID 84806750) is 4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine is Fc1cccc(CC2CCNCC2)c1C(F)(F)F.
What is the InChIKey of 4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is QTNJJRVLUYZTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N/c14-11-3-1-2-10(12(11)13(15,16)17)8-9-4-6-18-7-5-9/h1-3,9,18H,4-8H2.
What are the key properties of 4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine?
4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 261.26 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 84806750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).