1-[2-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine

C17H20F3N3O — CID 24769550

IUPAC1-[2-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine
SMILESFC(F)(F)c1ccnn1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C17H20F3N3O/c18-17(19,20)16-8-9-21-23(16)14-4-6-15(7-5-14)24-13-12-22-10-2-1-3-11-22/h4-9H,1-3,10-13H2
InChIKeyBWYQUXGHJOOIPL-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.76
Rot. Bonds5

About 1-[2-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine

1-[2-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine (PubChem CID 24769550) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-[2-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine
PubChem CID24769550
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name1-[2-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine
SMILESFC(F)(F)c1ccnn1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C17H20F3N3O/c18-17(19,20)16-8-9-21-23(16)14-4-6-15(7-5-14)24-13-12-22-10-2-1-3-11-22/h4-9H,1-3,10-13H2
InChIKeyBWYQUXGHJOOIPL-UHFFFAOYSA-N
XLogP3.76
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine (CID 24769550) is 1-[2-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine is FC(F)(F)c1ccnn1-c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 1-[2-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine?
The InChIKey is BWYQUXGHJOOIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c18-17(19,20)16-8-9-21-23(16)14-4-6-15(7-5-14)24-13-12-22-10-2-1-3-11-22/h4-9H,1-3,10-13H2.
What are the key properties of 1-[2-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine?
1-[2-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine has a molecular weight of 339.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine is sourced from PubChem (CID 24769550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).