1-[(1S)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine

C11H13BrF3N3 — CID 171285526

IUPAC1-[(1S)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine
SMILESFC(F)(F)[C@H](c1cncc(Br)c1)N1CCNCC1
InChIInChI=1S/C11H13BrF3N3/c12-9-5-8(6-17-7-9)10(11(13,14)15)18-3-1-16-2-4-18/h5-7,10,16H,1-4H2/t10-/m0/s1
InChIKeyGPJOWWNGUANOCE-JTQLQIEISA-N
MW324.14 g/mol
LogP2.35
Rot. Bonds2

About 1-[(1S)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine

1-[(1S)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine (PubChem CID 171285526) has the molecular formula C11H13BrF3N3 and a molecular weight of 324.14 g/mol. Its IUPAC name is 1-[(1S)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine
PubChem CID171285526
Molecular FormulaC11H13BrF3N3
Molecular Weight324.14 g/mol
Exact Mass323.02
IUPAC Name1-[(1S)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine
SMILESFC(F)(F)[C@H](c1cncc(Br)c1)N1CCNCC1
InChIInChI=1S/C11H13BrF3N3/c12-9-5-8(6-17-7-9)10(11(13,14)15)18-3-1-16-2-4-18/h5-7,10,16H,1-4H2/t10-/m0/s1
InChIKeyGPJOWWNGUANOCE-JTQLQIEISA-N
XLogP2.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(5-bromo-3-pyridinyl)-3,3,3-trifluoropropyl]piperazine
CID 171302338
1-[(1S)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171285937
1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171178570
1-[(R)-(5-bromo-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285546
1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171272910
1-[(1R)-1-(3-bromo-4-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179212
1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride
CID 171308612
1-[(1R)-2,2,2-trifluoro-1-(3,4,5-trifluorophenyl)ethyl]piperazine;dihydrochloride
CID 171278008
1-[(1S)-1-(3,4-dichlorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171287544
1-[(1R)-1-(5-bromo-3-pyridinyl)hexyl]piperazine
CID 171307316
1-[(1S)-1-(4-bromo-3,5-dimethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171175621
1-[(1R)-1-(3-bromo-4-chlorophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171179093

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine (CID 171285526) is 1-[(1S)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine is FC(F)(F)[C@H](c1cncc(Br)c1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine?
The InChIKey is GPJOWWNGUANOCE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13BrF3N3/c12-9-5-8(6-17-7-9)10(11(13,14)15)18-3-1-16-2-4-18/h5-7,10,16H,1-4H2/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine?
1-[(1S)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine has a molecular weight of 324.14 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine is sourced from PubChem (CID 171285526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).