1-[3-(trifluoromethyl)phenyl]piperazine

C11H13F3N2 — CID 4296

IUPAC1-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
InChIKeyKKIMDKMETPPURN-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.12
Rot. Bonds1

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

1-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 4296) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID4296
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name1-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
InChIKeyKKIMDKMETPPURN-UHFFFAOYSA-N
XLogP2.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]piperazine (CID 4296) is 1-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCNCC2)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is KKIMDKMETPPURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]piperazine?
1-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 230.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 4296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).