3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine

C13H16F3NO — CID 115375237

IUPAC3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine
SMILESCC1CNCC(c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C13H16F3NO/c1-9-6-10(8-17-7-9)11-4-2-3-5-12(11)18-13(14,15)16/h2-5,9-10,17H,6-8H2,1H3
InChIKeyHJWFAALRCYXOJC-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.30
Rot. Bonds2

About 3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine

3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine (PubChem CID 115375237) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine.

Molecular Properties

Compound Name3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine
PubChem CID115375237
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine
SMILESCC1CNCC(c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C13H16F3NO/c1-9-6-10(8-17-7-9)11-4-2-3-5-12(11)18-13(14,15)16/h2-5,9-10,17H,6-8H2,1H3
InChIKeyHJWFAALRCYXOJC-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine?
The IUPAC name of 3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine (CID 115375237) is 3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine.
What is the SMILES notation for 3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine?
The canonical SMILES for 3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine is CC1CNCC(c2ccccc2OC(F)(F)F)C1.
What is the InChIKey of 3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine?
The InChIKey is HJWFAALRCYXOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-9-6-10(8-17-7-9)11-4-2-3-5-12(11)18-13(14,15)16/h2-5,9-10,17H,6-8H2,1H3.
What are the key properties of 3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine?
3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine has a molecular weight of 259.27 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine is sourced from PubChem (CID 115375237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).