1-(oxan-4-yl)-4-[2-(trifluoromethoxy)phenyl]piperidine

C17H22F3NO2 — CID 11616875

IUPAC1-(oxan-4-yl)-4-[2-(trifluoromethoxy)phenyl]piperidine
SMILESFC(F)(F)Oc1ccccc1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H22F3NO2/c18-17(19,20)23-16-4-2-1-3-15(16)13-5-9-21(10-6-13)14-7-11-22-12-8-14/h1-4,13-14H,5-12H2
InChIKeyOMQWBEQIWABUJL-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.94
Rot. Bonds3

About 1-(oxan-4-yl)-4-[2-(trifluoromethoxy)phenyl]piperidine

1-(oxan-4-yl)-4-[2-(trifluoromethoxy)phenyl]piperidine (PubChem CID 11616875) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-(oxan-4-yl)-4-[2-(trifluoromethoxy)phenyl]piperidine.

Molecular Properties

Compound Name1-(oxan-4-yl)-4-[2-(trifluoromethoxy)phenyl]piperidine
PubChem CID11616875
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name1-(oxan-4-yl)-4-[2-(trifluoromethoxy)phenyl]piperidine
SMILESFC(F)(F)Oc1ccccc1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H22F3NO2/c18-17(19,20)23-16-4-2-1-3-15(16)13-5-9-21(10-6-13)14-7-11-22-12-8-14/h1-4,13-14H,5-12H2
InChIKeyOMQWBEQIWABUJL-UHFFFAOYSA-N
XLogP3.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-4-[2-(trifluoromethoxy)phenyl]piperidine?
The IUPAC name of 1-(oxan-4-yl)-4-[2-(trifluoromethoxy)phenyl]piperidine (CID 11616875) is 1-(oxan-4-yl)-4-[2-(trifluoromethoxy)phenyl]piperidine.
What is the SMILES notation for 1-(oxan-4-yl)-4-[2-(trifluoromethoxy)phenyl]piperidine?
The canonical SMILES for 1-(oxan-4-yl)-4-[2-(trifluoromethoxy)phenyl]piperidine is FC(F)(F)Oc1ccccc1C1CCN(C2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-yl)-4-[2-(trifluoromethoxy)phenyl]piperidine?
The InChIKey is OMQWBEQIWABUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO2/c18-17(19,20)23-16-4-2-1-3-15(16)13-5-9-21(10-6-13)14-7-11-22-12-8-14/h1-4,13-14H,5-12H2.
What are the key properties of 1-(oxan-4-yl)-4-[2-(trifluoromethoxy)phenyl]piperidine?
1-(oxan-4-yl)-4-[2-(trifluoromethoxy)phenyl]piperidine has a molecular weight of 329.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-4-[2-(trifluoromethoxy)phenyl]piperidine is sourced from PubChem (CID 11616875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).