1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine

C15H13F5N4 — CID 171999708

IUPAC1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFc1cccc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)n1
InChIInChI=1S/C15H13F5N4/c16-11-8-10(15(18,19)20)9-21-14(11)24-6-4-23(5-7-24)13-3-1-2-12(17)22-13/h1-3,8-9H,4-7H2
InChIKeyJXTXVCIVISPSPJ-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.10
Rot. Bonds2

About 1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine

1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 171999708) has the molecular formula C15H13F5N4 and a molecular weight of 344.29 g/mol. Its IUPAC name is 1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID171999708
Molecular FormulaC15H13F5N4
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC Name1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFc1cccc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)n1
InChIInChI=1S/C15H13F5N4/c16-11-8-10(15(18,19)20)9-21-14(11)24-6-4-23(5-7-24)13-3-1-2-12(17)22-13/h1-3,8-9H,4-7H2
InChIKeyJXTXVCIVISPSPJ-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 155981344
1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 166605221
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 61229554
6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]pyridazine-3-carbonitrile
CID 163351761
4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 155981444
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine
CID 159468472
4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 155974552
5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 171998892
(3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine
CID 129105387
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 38682030

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 171999708) is 1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine is Fc1cccc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)n1.
What is the InChIKey of 1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is JXTXVCIVISPSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F5N4/c16-11-8-10(15(18,19)20)9-21-14(11)24-6-4-23(5-7-24)13-3-1-2-12(17)22-13/h1-3,8-9H,4-7H2.
What are the key properties of 1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 344.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 171999708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).