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

C16H15F4N3 — CID 3702315

IUPAC1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)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
InChIKeyLVFJQCQDXWCVGX-UHFFFAOYSA-N
MW325.31 g/mol
LogP3.57
Rot. Bonds2

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

1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 3702315) has the molecular formula C16H15F4N3 and a molecular weight of 325.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID3702315
Molecular FormulaC16H15F4N3
Molecular Weight325.31 g/mol
Exact Mass325.12
IUPAC Name1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)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
InChIKeyLVFJQCQDXWCVGX-UHFFFAOYSA-N
XLogP3.57
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
(1R)-1-(4-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 7189249
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
[2-(4-fluorophenyl)tetrazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 71791476
5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol
CID 166751707
5-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]pyridine-2-carbonitrile
CID 133358806
1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 2760779
1-[5-(bromomethyl)-2-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 107079265
4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 56575886
4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282533
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 3702315) is 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is Fc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is LVFJQCQDXWCVGX-UHFFFAOYSA-N. 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.
What are the key properties of 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 325.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 3702315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).