1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine

C16H20BrF3N2 — CID 171170574

IUPAC1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine
SMILESFC(F)(F)c1ccc(Br)c([C@@H](CC2CC2)N2CCNCC2)c1
InChIInChI=1S/C16H20BrF3N2/c17-14-4-3-12(16(18,19)20)10-13(14)15(9-11-1-2-11)22-7-5-21-6-8-22/h3-4,10-11,15,21H,1-2,5-9H2/t15-/m1/s1
InChIKeyLCJDLTXVRJOQDS-OAHLLOKOSA-N
MW377.25 g/mol
LogP4.21
Rot. Bonds4

About 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine

1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine (PubChem CID 171170574) has the molecular formula C16H20BrF3N2 and a molecular weight of 377.25 g/mol. Its IUPAC name is 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine
PubChem CID171170574
Molecular FormulaC16H20BrF3N2
Molecular Weight377.25 g/mol
Exact Mass376.08
IUPAC Name1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine
SMILESFC(F)(F)c1ccc(Br)c([C@@H](CC2CC2)N2CCNCC2)c1
InChIInChI=1S/C16H20BrF3N2/c17-14-4-3-12(16(18,19)20)10-13(14)15(9-11-1-2-11)22-7-5-21-6-8-22/h3-4,10-11,15,21H,1-2,5-9H2/t15-/m1/s1
InChIKeyLCJDLTXVRJOQDS-OAHLLOKOSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine
CID 171165215
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride
CID 171291593
1-[(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]pent-4-enyl]piperazine
CID 171278983
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171311001
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine;dihydrochloride
CID 171311002
1-[(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309239
1-[(R)-[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine;dihydrochloride
CID 171291596
1-[(S)-[2-bromo-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;dihydrochloride
CID 171278973
1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine
CID 171170628
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171170551
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;dihydrochloride
CID 171291588
1-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171170761

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine?
The IUPAC name of 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine (CID 171170574) is 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine is FC(F)(F)c1ccc(Br)c([C@@H](CC2CC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine?
The InChIKey is LCJDLTXVRJOQDS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20BrF3N2/c17-14-4-3-12(16(18,19)20)10-13(14)15(9-11-1-2-11)22-7-5-21-6-8-22/h3-4,10-11,15,21H,1-2,5-9H2/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine?
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine has a molecular weight of 377.25 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine is sourced from PubChem (CID 171170574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).