2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine

C20H22F3NO — CID 23339104

IUPAC2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine
SMILESFC(F)(F)c1ccccc1Oc1ccc(CCC2CCCCN2)cc1
InChIInChI=1S/C20H22F3NO/c21-20(22,23)18-6-1-2-7-19(18)25-17-12-9-15(10-13-17)8-11-16-5-3-4-14-24-16/h1-2,6-7,9-10,12-13,16,24H,3-5,8,11,14H2
InChIKeyRQXVARYFINJQRC-UHFFFAOYSA-N
MW349.40 g/mol
LogP5.57
Rot. Bonds5

About 2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine

2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine (PubChem CID 23339104) has the molecular formula C20H22F3NO and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine
PubChem CID23339104
Molecular FormulaC20H22F3NO
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine
SMILESFC(F)(F)c1ccccc1Oc1ccc(CCC2CCCCN2)cc1
InChIInChI=1S/C20H22F3NO/c21-20(22,23)18-6-1-2-7-19(18)25-17-12-9-15(10-13-17)8-11-16-5-3-4-14-24-16/h1-2,6-7,9-10,12-13,16,24H,3-5,8,11,14H2
InChIKeyRQXVARYFINJQRC-UHFFFAOYSA-N
XLogP5.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.40
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile
CID 23339372
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
CID 43329124
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 23339323
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817
1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole
CID 117125009
2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 54932964
[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630
4-(2-piperidin-2-ylethoxy)-2-(trifluoromethyl)benzonitrile
CID 62348975
2-(2-pyridin-4-ylethyl)azepane
CID 104703875
2-phenoxy-N-(piperidin-2-ylmethyl)aniline
CID 106632819

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine?
The IUPAC name of 2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine (CID 23339104) is 2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine.
What is the SMILES notation for 2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine?
The canonical SMILES for 2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine is FC(F)(F)c1ccccc1Oc1ccc(CCC2CCCCN2)cc1.
What is the InChIKey of 2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine?
The InChIKey is RQXVARYFINJQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO/c21-20(22,23)18-6-1-2-7-19(18)25-17-12-9-15(10-13-17)8-11-16-5-3-4-14-24-16/h1-2,6-7,9-10,12-13,16,24H,3-5,8,11,14H2.
What are the key properties of 2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine?
2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine has a molecular weight of 349.40 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine is sourced from PubChem (CID 23339104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).