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

C15H14ClF3N4 — CID 133352551

IUPAC1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCN(c3ccncc3Cl)CC2)nc1
InChIInChI=1S/C15H14ClF3N4/c16-12-10-20-4-3-13(12)22-5-7-23(8-6-22)14-2-1-11(9-21-14)15(17,18)19/h1-4,9-10H,5-8H2
InChIKeyUHRBDJGZIMHIBT-UHFFFAOYSA-N
MW342.75 g/mol
LogP3.48
Rot. Bonds2

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

1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 133352551) has the molecular formula C15H14ClF3N4 and a molecular weight of 342.75 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID133352551
Molecular FormulaC15H14ClF3N4
Molecular Weight342.75 g/mol
Exact Mass342.09
IUPAC Name1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCN(c3ccncc3Cl)CC2)nc1
InChIInChI=1S/C15H14ClF3N4/c16-12-10-20-4-3-13(12)22-5-7-23(8-6-22)14-2-1-11(9-21-14)15(17,18)19/h1-4,9-10H,5-8H2
InChIKeyUHRBDJGZIMHIBT-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol
CID 166751707
1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 45277944
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 26601789
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
1-(3,4-dimethyl-5-pyridin-4-ylpyrrol-1-ium-2-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 162561436
4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 125424004
3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzonitrile
CID 126697855
1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride
CID 91623900

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 133352551) is 1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1ccc(N2CCN(c3ccncc3Cl)CC2)nc1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is UHRBDJGZIMHIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4/c16-12-10-20-4-3-13(12)22-5-7-23(8-6-22)14-2-1-11(9-21-14)15(17,18)19/h1-4,9-10H,5-8H2.
What are the key properties of 1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 342.75 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 133352551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).