2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine

C13H17F3N2O — CID 175262358

IUPAC2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine
SMILESCC1(C)CNCCN1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-12(2)9-17-6-7-18(12)10-4-3-5-11(8-10)19-13(14,15)16/h3-5,8,17H,6-7,9H2,1-2H3
InChIKeyBBBOBBSXLXPYLD-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.77
Rot. Bonds2

About 2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine

2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine (PubChem CID 175262358) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine
PubChem CID175262358
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine
SMILESCC1(C)CNCCN1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-12(2)9-17-6-7-18(12)10-4-3-5-11(8-10)19-13(14,15)16/h3-5,8,17H,6-7,9H2,1-2H3
InChIKeyBBBOBBSXLXPYLD-UHFFFAOYSA-N
XLogP2.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 121226455
1-(2,2-dimethylpiperazin-1-yl)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 69128368
1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine
CID 65484601
1-[(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 171293140
2-bromo-4-(2,2-dimethylpiperazin-1-yl)benzonitrile
CID 107280761
ethane;1-[(1S)-2-piperazin-1-yl-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 143036937
3-ethyl-1-[3-(trifluoromethoxy)phenyl]-1,4-diazepane
CID 64943718
1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine
CID 171310343
1-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856076
1-(4-ethylsulfonylphenyl)-2,2-dimethylpiperazine
CID 63595431
2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole
CID 70285773
2-piperazin-1-yl-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 107104754

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine?
The IUPAC name of 2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine (CID 175262358) is 2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine.
What is the SMILES notation for 2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine?
The canonical SMILES for 2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine is CC1(C)CNCCN1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine?
The InChIKey is BBBOBBSXLXPYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-12(2)9-17-6-7-18(12)10-4-3-5-11(8-10)19-13(14,15)16/h3-5,8,17H,6-7,9H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine?
2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine has a molecular weight of 274.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine is sourced from PubChem (CID 175262358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).