1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine

C16H20BrF3N2 — CID 171170628

IUPAC1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine
SMILESFC(F)(F)c1cc(Br)cc([C@@H](CC2CC2)N2CCNCC2)c1
InChIInChI=1S/C16H20BrF3N2/c17-14-9-12(8-13(10-14)16(18,19)20)15(7-11-1-2-11)22-5-3-21-4-6-22/h8-11,15,21H,1-7H2/t15-/m1/s1
InChIKeyXZIBLTKYCHODFR-OAHLLOKOSA-N
MW377.25 g/mol
LogP4.21
Rot. Bonds4

About 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine

1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine (PubChem CID 171170628) has the molecular formula C16H20BrF3N2 and a molecular weight of 377.25 g/mol. Its IUPAC name is 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine
PubChem CID171170628
Molecular FormulaC16H20BrF3N2
Molecular Weight377.25 g/mol
Exact Mass376.08
IUPAC Name1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine
SMILESFC(F)(F)c1cc(Br)cc([C@@H](CC2CC2)N2CCNCC2)c1
InChIInChI=1S/C16H20BrF3N2/c17-14-9-12(8-13(10-14)16(18,19)20)15(7-11-1-2-11)22-5-3-21-4-6-22/h8-11,15,21H,1-7H2/t15-/m1/s1
InChIKeyXZIBLTKYCHODFR-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-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171170761
1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303775
1-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine
CID 171165211
(4S)-4-[3-bromo-5-(trifluoromethyl)phenyl]-4-piperazin-1-ylbutan-1-ol
CID 171174495
1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171170520
1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine
CID 171291584
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine
CID 171170574
1-[(1S)-2-cyclopropyl-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171167831
1-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 171165187
1-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine;hydrochloride
CID 171181646
1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171279186
1-[(1S)-1-(3,5-dibromophenyl)-4,4,4-trifluorobutyl]piperazine
CID 171167331

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine?
The IUPAC name of 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine (CID 171170628) is 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine is FC(F)(F)c1cc(Br)cc([C@@H](CC2CC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine?
The InChIKey is XZIBLTKYCHODFR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20BrF3N2/c17-14-9-12(8-13(10-14)16(18,19)20)15(7-11-1-2-11)22-5-3-21-4-6-22/h8-11,15,21H,1-7H2/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine?
1-[(1R)-1-[3-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-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine is sourced from PubChem (CID 171170628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).