1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine

C15H21F3N2O2 — CID 58563319

IUPAC1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine
SMILESCOCCN1CCN(c2cc(C)cc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H21F3N2O2/c1-12-9-13(11-14(10-12)22-15(16,17)18)20-5-3-19(4-6-20)7-8-21-2/h9-11H,3-8H2,1-2H3
InChIKeyBBBLHHTUJOMWBH-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.66
Rot. Bonds5

About 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine

1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine (PubChem CID 58563319) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine
PubChem CID58563319
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine
SMILESCOCCN1CCN(c2cc(C)cc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H21F3N2O2/c1-12-9-13(11-14(10-12)22-15(16,17)18)20-5-3-19(4-6-20)7-8-21-2/h9-11H,3-8H2,1-2H3
InChIKeyBBBLHHTUJOMWBH-UHFFFAOYSA-N
XLogP2.66
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine (CID 58563319) is 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine is COCCN1CCN(c2cc(C)cc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine?
The InChIKey is BBBLHHTUJOMWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-12-9-13(11-14(10-12)22-15(16,17)18)20-5-3-19(4-6-20)7-8-21-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine?
1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine has a molecular weight of 318.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine is sourced from PubChem (CID 58563319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).