4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine

C18H18F3NO — CID 46189893

IUPAC4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine
SMILESFc1cc(F)c(OCc2ccccc2C2CCNCC2)c(F)c1
InChIInChI=1S/C18H18F3NO/c19-14-9-16(20)18(17(21)10-14)23-11-13-3-1-2-4-15(13)12-5-7-22-8-6-12/h1-4,9-10,12,22H,5-8,11H2
InChIKeyTZIALEBTHQWNAO-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.15
Rot. Bonds4

About 4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine

4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine (PubChem CID 46189893) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine.

Molecular Properties

Compound Name4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine
PubChem CID46189893
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine
SMILESFc1cc(F)c(OCc2ccccc2C2CCNCC2)c(F)c1
InChIInChI=1S/C18H18F3NO/c19-14-9-16(20)18(17(21)10-14)23-11-13-3-1-2-4-15(13)12-5-7-22-8-6-12/h1-4,9-10,12,22H,5-8,11H2
InChIKeyTZIALEBTHQWNAO-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine?
The IUPAC name of 4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine (CID 46189893) is 4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine.
What is the SMILES notation for 4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine?
The canonical SMILES for 4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine is Fc1cc(F)c(OCc2ccccc2C2CCNCC2)c(F)c1.
What is the InChIKey of 4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine?
The InChIKey is TZIALEBTHQWNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO/c19-14-9-16(20)18(17(21)10-14)23-11-13-3-1-2-4-15(13)12-5-7-22-8-6-12/h1-4,9-10,12,22H,5-8,11H2.
What are the key properties of 4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine?
4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine has a molecular weight of 321.34 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine is sourced from PubChem (CID 46189893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).