1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine

C14H19F3N2O — CID 90105371

IUPAC1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine
SMILESFC(F)(F)OCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)20-11-10-18-6-8-19(9-7-18)12-13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyWRYOQWOXWDCYMM-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.34
Rot. Bonds5

About 1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine

1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine (PubChem CID 90105371) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine
PubChem CID90105371
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine
SMILESFC(F)(F)OCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)20-11-10-18-6-8-19(9-7-18)12-13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyWRYOQWOXWDCYMM-UHFFFAOYSA-N
XLogP2.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine?
The IUPAC name of 1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine (CID 90105371) is 1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine?
The canonical SMILES for 1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine is FC(F)(F)OCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine?
The InChIKey is WRYOQWOXWDCYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)20-11-10-18-6-8-19(9-7-18)12-13-4-2-1-3-5-13/h1-5H,6-12H2.
What are the key properties of 1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine?
1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine has a molecular weight of 288.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine is sourced from PubChem (CID 90105371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).