1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine

C13H16BrF3N2 — CID 65484601

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H16BrF3N2/c1-12(2)8-18-5-6-19(12)11-4-3-9(14)7-10(11)13(15,16)17/h3-4,7,18H,5-6,8H2,1-2H3
InChIKeyCZTLICYRTFACPU-UHFFFAOYSA-N
MW337.18 g/mol
LogP3.66
Rot. Bonds1

About 1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine

1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine (PubChem CID 65484601) has the molecular formula C13H16BrF3N2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine
PubChem CID65484601
Molecular FormulaC13H16BrF3N2
Molecular Weight337.18 g/mol
Exact Mass336.04
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H16BrF3N2/c1-12(2)8-18-5-6-19(12)11-4-3-9(14)7-10(11)13(15,16)17/h3-4,7,18H,5-6,8H2,1-2H3
InChIKeyCZTLICYRTFACPU-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-bromo-4-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine
CID 115511932
1-[4-bromo-2-(trifluoromethyl)phenyl]-3,3-dimethyl-1,4-diazepane
CID 64943404
1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine
CID 63595100
2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide
CID 65462817
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine
CID 64931291
1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine
CID 91620600
1-[1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 117109408
1-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 115370963
1-(4-fluoro-2-nitrophenyl)-2,2-dimethylpiperazine
CID 65460801
1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 60790484
2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine
CID 175262358
2,2-dimethyl-1-pyridin-2-ylpiperazine
CID 55248494

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine (CID 65484601) is 1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine is CC1(C)CNCCN1c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine?
The InChIKey is CZTLICYRTFACPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2/c1-12(2)8-18-5-6-19(12)11-4-3-9(14)7-10(11)13(15,16)17/h3-4,7,18H,5-6,8H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine?
1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine has a molecular weight of 337.18 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 65484601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).