4-methoxy-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine

C16H22F3NO2 — CID 121418575

IUPAC4-methoxy-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESCOC1(C)CCN(CCOc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H22F3NO2/c1-15(21-2)7-9-20(10-8-15)11-12-22-14-6-4-3-5-13(14)16(17,18)19/h3-6H,7-12H2,1-2H3
InChIKeyWMMJYUKHLLYJIY-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.59
Rot. Bonds5

About 4-methoxy-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine

4-methoxy-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine (PubChem CID 121418575) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine
PubChem CID121418575
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name4-methoxy-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESCOC1(C)CCN(CCOc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H22F3NO2/c1-15(21-2)7-9-20(10-8-15)11-12-22-14-6-4-3-5-13(14)16(17,18)19/h3-6H,7-12H2,1-2H3
InChIKeyWMMJYUKHLLYJIY-UHFFFAOYSA-N
XLogP3.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine?
The IUPAC name of 4-methoxy-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine (CID 121418575) is 4-methoxy-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 4-methoxy-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine?
The canonical SMILES for 4-methoxy-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine is COC1(C)CCN(CCOc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine?
The InChIKey is WMMJYUKHLLYJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO2/c1-15(21-2)7-9-20(10-8-15)11-12-22-14-6-4-3-5-13(14)16(17,18)19/h3-6H,7-12H2,1-2H3.
What are the key properties of 4-methoxy-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine?
4-methoxy-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine has a molecular weight of 317.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 121418575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).