oxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone

C16H18F3NO3 — CID 154880254

IUPACoxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CO1)N1CCC(COc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H18F3NO3/c17-16(18,19)12-3-1-2-4-13(12)22-9-11-5-7-20(8-6-11)15(21)14-10-23-14/h1-4,11,14H,5-10H2
InChIKeyUOGFZGIGTKNJOA-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.72
Rot. Bonds4

About oxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone

oxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone (PubChem CID 154880254) has the molecular formula C16H18F3NO3 and a molecular weight of 329.32 g/mol. Its IUPAC name is oxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone
PubChem CID154880254
Molecular FormulaC16H18F3NO3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC Nameoxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CO1)N1CCC(COc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H18F3NO3/c17-16(18,19)12-3-1-2-4-13(12)22-9-11-5-7-20(8-6-11)15(21)14-10-23-14/h1-4,11,14H,5-10H2
InChIKeyUOGFZGIGTKNJOA-UHFFFAOYSA-N
XLogP2.72
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 24902819
2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetic acid
CID 59577070
2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide
CID 70878278
tert-butyl 3-[[2-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 169223787
tert-butyl (3R)-3-[[2-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 175699659
methyl 1-methyl-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidine-1-carbonyl]amino]pyrazole-5-carboxylate
CID 166273049
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110639052
1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 55950590
2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide
CID 59577125
[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879916
[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 110411541
methyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate
CID 170364130

Frequently Asked Questions

What is the IUPAC name of oxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone?
The IUPAC name of oxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone (CID 154880254) is oxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for oxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone?
The canonical SMILES for oxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone is O=C(C1CO1)N1CCC(COc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of oxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone?
The InChIKey is UOGFZGIGTKNJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO3/c17-16(18,19)12-3-1-2-4-13(12)22-9-11-5-7-20(8-6-11)15(21)14-10-23-14/h1-4,11,14H,5-10H2.
What are the key properties of oxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone?
oxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone has a molecular weight of 329.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 154880254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).