1-(2-methoxyethyl)-4-[2-methyl-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine

C18H25F3N2O — CID 154747157

IUPAC1-(2-methoxyethyl)-4-[2-methyl-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
SMILESCOCCN1CCN(CC(C)=Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H25F3N2O/c1-15(13-16-5-3-4-6-17(16)18(19,20)21)14-23-9-7-22(8-10-23)11-12-24-2/h3-6,13H,7-12,14H2,1-2H3
InChIKeyXZYLUHGFBLEPKO-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.37
Rot. Bonds6

About 1-(2-methoxyethyl)-4-[2-methyl-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine

1-(2-methoxyethyl)-4-[2-methyl-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine (PubChem CID 154747157) has the molecular formula C18H25F3N2O and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[2-methyl-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[2-methyl-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
PubChem CID154747157
Molecular FormulaC18H25F3N2O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC Name1-(2-methoxyethyl)-4-[2-methyl-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
SMILESCOCCN1CCN(CC(C)=Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H25F3N2O/c1-15(13-16-5-3-4-6-17(16)18(19,20)21)14-23-9-7-22(8-10-23)11-12-24-2/h3-6,13H,7-12,14H2,1-2H3
InChIKeyXZYLUHGFBLEPKO-UHFFFAOYSA-N
XLogP3.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Cambridge id 5427248
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2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine
CID 26314999
(2S)-N-[2-(3,5-difluorophenyl)ethyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 28101418
3-[2-(3,4-Difluorophenyl)ethyl]-1-(2-ethoxyethyl)piperidine
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4-[1-[[2-(Trifluoromethyl)phenyl]methyl]piperidin-3-yl]morpholine
CID 126459919
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CID 138001461

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[2-methyl-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-[2-methyl-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine (CID 154747157) is 1-(2-methoxyethyl)-4-[2-methyl-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[2-methyl-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[2-methyl-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine is COCCN1CCN(CC(C)=Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[2-methyl-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine?
The InChIKey is XZYLUHGFBLEPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-15(13-16-5-3-4-6-17(16)18(19,20)21)14-23-9-7-22(8-10-23)11-12-24-2/h3-6,13H,7-12,14H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-[2-methyl-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine?
1-(2-methoxyethyl)-4-[2-methyl-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine has a molecular weight of 342.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[2-methyl-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine is sourced from PubChem (CID 154747157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).