1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

C17H17F4N3 — CID 78782251

IUPAC1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFc1ccccc1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H17F4N3/c18-15-4-2-1-3-13(15)12-23-7-9-24(10-8-23)16-6-5-14(11-22-16)17(19,20)21/h1-6,11H,7-10,12H2
InChIKeyJXZNXKVJVKGPSW-UHFFFAOYSA-N
MW339.34 g/mol
LogP3.56
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 78782251) has the molecular formula C17H17F4N3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID78782251
Molecular FormulaC17H17F4N3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFc1ccccc1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H17F4N3/c18-15-4-2-1-3-13(15)12-23-7-9-24(10-8-23)16-6-5-14(11-22-16)17(19,20)21/h1-6,11H,7-10,12H2
InChIKeyJXZNXKVJVKGPSW-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-[(4-bromo-2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 55354194
3-fluoro-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzonitrile
CID 38559597
1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 45277944
3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171327275
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 32698855
(1R)-1-(2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 34192750
1-[(E)-3-phenylprop-2-enyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 44768199
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline
CID 9109583
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 26601789
2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole
CID 17448653
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
CID 174557120

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 78782251) is 1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is Fc1ccccc1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is JXZNXKVJVKGPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3/c18-15-4-2-1-3-13(15)12-23-7-9-24(10-8-23)16-6-5-14(11-22-16)17(19,20)21/h1-6,11H,7-10,12H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]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)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 78782251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).