4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine

C19H20F3NO2 — CID 68829498

IUPAC4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine
SMILESFC(F)(F)c1ccccc1Oc1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C19H20F3NO2/c20-19(21,22)17-3-1-2-4-18(17)25-16-7-5-15(6-8-16)24-13-14-9-11-23-12-10-14/h1-8,14,23H,9-13H2
InChIKeyJAXUCXSXXAPEGD-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.88
Rot. Bonds5

About 4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine

4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine (PubChem CID 68829498) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine
PubChem CID68829498
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine
SMILESFC(F)(F)c1ccccc1Oc1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C19H20F3NO2/c20-19(21,22)17-3-1-2-4-18(17)25-16-7-5-15(6-8-16)24-13-14-9-11-23-12-10-14/h1-8,14,23H,9-13H2
InChIKeyJAXUCXSXXAPEGD-UHFFFAOYSA-N
XLogP4.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 86321036
4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine
CID 115047555
4-[(4-benzylphenoxy)methyl]piperidine
CID 23722975
tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine
CID 175274802
(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 58737388
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682
3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine
CID 115042137
4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine
CID 166105232
4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride
CID 46735634
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
1-ethynyl-4-[2-(trifluoromethyl)phenoxy]benzene
CID 155887443
2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine
CID 23339104

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine?
The IUPAC name of 4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine (CID 68829498) is 4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine.
What is the SMILES notation for 4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine?
The canonical SMILES for 4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine is FC(F)(F)c1ccccc1Oc1ccc(OCC2CCNCC2)cc1.
What is the InChIKey of 4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine?
The InChIKey is JAXUCXSXXAPEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c20-19(21,22)17-3-1-2-4-18(17)25-16-7-5-15(6-8-16)24-13-14-9-11-23-12-10-14/h1-8,14,23H,9-13H2.
What are the key properties of 4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine?
4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine has a molecular weight of 351.37 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine is sourced from PubChem (CID 68829498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).