1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine

C16H16F4N3+ — CID 7033043

IUPAC1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine
SMILESFc1ccc(N2CCN(c3ccc(C(F)(F)F)c[nH+]3)CC2)cc1
InChIInChI=1S/C16H15F4N3/c17-13-2-4-14(5-3-13)22-7-9-23(10-8-22)15-6-1-12(11-21-15)16(18,19)20/h1-6,11H,7-10H2/p+1
InChIKeyLVFJQCQDXWCVGX-UHFFFAOYSA-O
MW326.32 g/mol
LogP2.99
Rot. Bonds2

About 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine

1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine (PubChem CID 7033043) has the molecular formula C16H16F4N3+ and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine
PubChem CID7033043
Molecular FormulaC16H16F4N3+
Molecular Weight326.32 g/mol
Exact Mass326.13
IUPAC Name1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine
SMILESFc1ccc(N2CCN(c3ccc(C(F)(F)F)c[nH+]3)CC2)cc1
InChIInChI=1S/C16H15F4N3/c17-13-2-4-14(5-3-13)22-7-9-23(10-8-22)15-6-1-12(11-21-15)16(18,19)20/h1-6,11H,7-10H2/p+1
InChIKeyLVFJQCQDXWCVGX-UHFFFAOYSA-O
XLogP2.99
TPSA20.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]phenol
CID 9105881
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)aniline
CID 19627015
N-[(4-fluorophenyl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9192577
1-methyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-1-ium
CID 2574894
4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine
CID 9281205
1-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]pyridin-2-one
CID 8851391
(2,4-dimethylphenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone
CID 2549026
4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4614489
(3,5-dimethoxyphenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone
CID 2671292
dimethyl-[2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioyl]amino]ethyl]azanium
CID 8789860
2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethoxy]benzamide
CID 9089580

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine (CID 7033043) is 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine is Fc1ccc(N2CCN(c3ccc(C(F)(F)F)c[nH+]3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine?
The InChIKey is LVFJQCQDXWCVGX-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H15F4N3/c17-13-2-4-14(5-3-13)22-7-9-23(10-8-22)15-6-1-12(11-21-15)16(18,19)20/h1-6,11H,7-10H2/p+1.
What are the key properties of 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine?
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine has a molecular weight of 326.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine is sourced from PubChem (CID 7033043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).