1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine

C12H15F3N2O — CID 167238583

IUPAC1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine
SMILESCN1CCN(c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C12H15F3N2O/c1-16-6-8-17(9-7-16)10-4-2-3-5-11(10)18-12(13,14)15/h2-5H,6-9H2,1H3
InChIKeyOLZATVFSNBMJJM-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.34
Rot. Bonds2

About 1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine

1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine (PubChem CID 167238583) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine
PubChem CID167238583
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine
SMILESCN1CCN(c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C12H15F3N2O/c1-16-6-8-17(9-7-16)10-4-2-3-5-11(10)18-12(13,14)15/h2-5H,6-9H2,1H3
InChIKeyOLZATVFSNBMJJM-UHFFFAOYSA-N
XLogP2.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine
CID 157039254
ethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine
CID 176552586
[4-(4-methylpiperazin-1-yl)-3-(trifluoromethoxy)phenyl]boronic acid
CID 150926385
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693
1-methyl-4-[2-[(1-methylimidazol-2-yl)methoxy]phenyl]piperazine
CID 58996743
1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine
CID 58817389
5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
CID 70198309
N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 139080265
2-(4-methylpiperazin-1-yl)benzonitrile
CID 13048190
3-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]-1,4-diazepane
CID 64943487
[2-(trifluoromethoxy)phenyl]boronic acid
CID 2777204
(3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
CID 6925391

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine (CID 167238583) is 1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine is CN1CCN(c2ccccc2OC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine?
The InChIKey is OLZATVFSNBMJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-16-6-8-17(9-7-16)10-4-2-3-5-11(10)18-12(13,14)15/h2-5H,6-9H2,1H3.
What are the key properties of 1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine?
1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine has a molecular weight of 260.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine is sourced from PubChem (CID 167238583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).