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

C17H18F3N3 — CID 763101

IUPAC1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C17H18F3N3/c18-17(19,20)15-6-4-14(5-7-15)13-22-9-11-23(12-10-22)16-3-1-2-8-21-16/h1-8H,9-13H2
InChIKeyGNEGZJUHQFFVKT-UHFFFAOYSA-N
MW321.35 g/mol
LogP3.42
Rot. Bonds3

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

1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 763101) has the molecular formula C17H18F3N3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID763101
Molecular FormulaC17H18F3N3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C17H18F3N3/c18-17(19,20)15-6-4-14(5-7-15)13-22-9-11-23(12-10-22)16-3-1-2-8-21-16/h1-8H,9-13H2
InChIKeyGNEGZJUHQFFVKT-UHFFFAOYSA-N
XLogP3.42
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 763101) is 1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1ccc(CN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is GNEGZJUHQFFVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3/c18-17(19,20)15-6-4-14(5-7-15)13-22-9-11-23(12-10-22)16-3-1-2-8-21-16/h1-8H,9-13H2.
What are the key properties of 1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 321.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 763101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).