1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine

C11H13BrF3N3 — CID 112695175

IUPAC1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(c2cncc(Br)c2)CC1
InChIInChI=1S/C11H13BrF3N3/c12-9-5-10(7-16-6-9)18-3-1-17(2-4-18)8-11(13,14)15/h5-7H,1-4,8H2
InChIKeyYULRANCWIHHESL-UHFFFAOYSA-N
MW324.14 g/mol
LogP2.53
Rot. Bonds2

About 1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 112695175) has the molecular formula C11H13BrF3N3 and a molecular weight of 324.14 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID112695175
Molecular FormulaC11H13BrF3N3
Molecular Weight324.14 g/mol
Exact Mass323.02
IUPAC Name1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(c2cncc(Br)c2)CC1
InChIInChI=1S/C11H13BrF3N3/c12-9-5-10(7-16-6-9)18-3-1-17(2-4-18)8-11(13,14)15/h5-7H,1-4,8H2
InChIKeyYULRANCWIHHESL-UHFFFAOYSA-N
XLogP2.53
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)-4-propylpiperazine
CID 115657003
1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 67513524
1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine
CID 115657257
2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine
CID 112690429
1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine
CID 133465721
2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 129075200
1-(5-bromo-3-pyridinyl)piperidin-4-amine
CID 70343493
1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine
CID 113234116
5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine
CID 79535453
5-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]aniline
CID 62969105
3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine
CID 160523140
1-[4-(5-amino-3-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 104534824

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 112695175) is 1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCN(c2cncc(Br)c2)CC1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is YULRANCWIHHESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N3/c12-9-5-10(7-16-6-9)18-3-1-17(2-4-18)8-11(13,14)15/h5-7H,1-4,8H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 324.14 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 112695175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).