1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine

C17H17F4N3 — CID 171690442

IUPAC1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
SMILESFc1ccccc1N1CCN(Cc2cccnc2C(F)(F)F)CC1
InChIInChI=1S/C17H17F4N3/c18-14-5-1-2-6-15(14)24-10-8-23(9-11-24)12-13-4-3-7-22-16(13)17(19,20)21/h1-7H,8-12H2
InChIKeyUSZBZEAYHWXGHD-UHFFFAOYSA-N
MW339.34 g/mol
LogP3.56
Rot. Bonds3

About 1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine

1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine (PubChem CID 171690442) has the molecular formula C17H17F4N3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
PubChem CID171690442
Molecular FormulaC17H17F4N3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
SMILESFc1ccccc1N1CCN(Cc2cccnc2C(F)(F)F)CC1
InChIInChI=1S/C17H17F4N3/c18-14-5-1-2-6-15(14)24-10-8-23(9-11-24)12-13-4-3-7-22-16(13)17(19,20)21/h1-7H,8-12H2
InChIKeyUSZBZEAYHWXGHD-UHFFFAOYSA-N
XLogP3.56
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]azepane
CID 171690146
1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 171690633
5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine
CID 171337721
2-methylsulfanyl-4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine
CID 171690471
4-methyl-2-methylsulfanyl-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine
CID 171337761
6-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 171700962
4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 171337724
7-methyl-4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 171701165
1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine
CID 3326668
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452
1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 750916
1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 78782251

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine (CID 171690442) is 1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine is Fc1ccccc1N1CCN(Cc2cccnc2C(F)(F)F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
The InChIKey is USZBZEAYHWXGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3/c18-14-5-1-2-6-15(14)24-10-8-23(9-11-24)12-13-4-3-7-22-16(13)17(19,20)21/h1-7H,8-12H2.
What are the key properties of 1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine has a molecular weight of 339.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine is sourced from PubChem (CID 171690442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).