4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine

C13H15F4NO — CID 166767477

IUPAC4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine
SMILESCC1CNCCC1c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C13H15F4NO/c1-8-7-18-5-4-10(8)9-2-3-12(11(14)6-9)19-13(15,16)17/h2-3,6,8,10,18H,4-5,7H2,1H3
InChIKeyIJCGTQCVMSDPGL-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.44
Rot. Bonds2

About 4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine

4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine (PubChem CID 166767477) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine.

Molecular Properties

Compound Name4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine
PubChem CID166767477
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine
SMILESCC1CNCCC1c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C13H15F4NO/c1-8-7-18-5-4-10(8)9-2-3-12(11(14)6-9)19-13(15,16)17/h2-3,6,8,10,18H,4-5,7H2,1H3
InChIKeyIJCGTQCVMSDPGL-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine?
The IUPAC name of 4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine (CID 166767477) is 4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine.
What is the SMILES notation for 4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine?
The canonical SMILES for 4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine is CC1CNCCC1c1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of 4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine?
The InChIKey is IJCGTQCVMSDPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-8-7-18-5-4-10(8)9-2-3-12(11(14)6-9)19-13(15,16)17/h2-3,6,8,10,18H,4-5,7H2,1H3.
What are the key properties of 4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine?
4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine has a molecular weight of 277.26 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine is sourced from PubChem (CID 166767477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).