1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine

C19H21F3N2 — CID 765205

IUPAC1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccccc1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21F3N2/c20-19(21,22)18-9-5-4-8-17(18)15-24-12-10-23(11-13-24)14-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyKQEROGTWFRPRET-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.02
Rot. Bonds4

About 1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine

1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 765205) has the molecular formula C19H21F3N2 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID765205
Molecular FormulaC19H21F3N2
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccccc1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21F3N2/c20-19(21,22)18-9-5-4-8-17(18)15-24-12-10-23(11-13-24)14-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyKQEROGTWFRPRET-UHFFFAOYSA-N
XLogP4.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine (CID 765205) is 1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1ccccc1CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is KQEROGTWFRPRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2/c20-19(21,22)18-9-5-4-8-17(18)15-24-12-10-23(11-13-24)14-16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of 1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 334.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 765205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).