1-[4-phenoxy-3-(trifluoromethyl)phenyl]piperazine

C17H17F3N2O — CID 21392500

IUPAC1-[4-phenoxy-3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cc(N2CCNCC2)ccc1Oc1ccccc1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)15-12-13(22-10-8-21-9-11-22)6-7-16(15)23-14-4-2-1-3-5-14/h1-7,12,21H,8-11H2
InChIKeyKFIGTOQCZNISST-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.91
Rot. Bonds3

About 1-[4-phenoxy-3-(trifluoromethyl)phenyl]piperazine

1-[4-phenoxy-3-(trifluoromethyl)phenyl]piperazine (PubChem CID 21392500) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 1-[4-phenoxy-3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-phenoxy-3-(trifluoromethyl)phenyl]piperazine
PubChem CID21392500
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name1-[4-phenoxy-3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cc(N2CCNCC2)ccc1Oc1ccccc1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)15-12-13(22-10-8-21-9-11-22)6-7-16(15)23-14-4-2-1-3-5-14/h1-7,12,21H,8-11H2
InChIKeyKFIGTOQCZNISST-UHFFFAOYSA-N
XLogP3.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-phenoxy-3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[4-phenoxy-3-(trifluoromethyl)phenyl]piperazine (CID 21392500) is 1-[4-phenoxy-3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[4-phenoxy-3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[4-phenoxy-3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cc(N2CCNCC2)ccc1Oc1ccccc1.
What is the InChIKey of 1-[4-phenoxy-3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is KFIGTOQCZNISST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c18-17(19,20)15-12-13(22-10-8-21-9-11-22)6-7-16(15)23-14-4-2-1-3-5-14/h1-7,12,21H,8-11H2.
What are the key properties of 1-[4-phenoxy-3-(trifluoromethyl)phenyl]piperazine?
1-[4-phenoxy-3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 322.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-phenoxy-3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 21392500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).