1-[[4-(trifluoromethyl)phenyl]methyl]piperazine

C12H15F3N2 — CID 2782803

IUPAC1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)11-3-1-10(2-4-11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2
InChIKeyFAFAFWFQFVLXGF-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.11
Rot. Bonds2

About 1-[[4-(trifluoromethyl)phenyl]methyl]piperazine

1-[[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 2782803) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID2782803
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)11-3-1-10(2-4-11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2
InChIKeyFAFAFWFQFVLXGF-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 2782803) is 1-[[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is FAFAFWFQFVLXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)11-3-1-10(2-4-11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2.
What are the key properties of 1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
1-[[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 244.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 2782803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).