(2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone

C14H17F3N2O — CID 59376260

IUPAC(2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCC1CNCC(C)N1C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-9-7-18-8-10(2)19(9)13(20)11-5-3-4-6-12(11)14(15,16)17/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyYEWTUDFXIIOETB-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.53
Rot. Bonds1

About (2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone

(2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 59376260) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID59376260
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name(2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCC1CNCC(C)N1C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-9-7-18-8-10(2)19(9)13(20)11-5-3-4-6-12(11)14(15,16)17/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyYEWTUDFXIIOETB-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 59376260) is (2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone is CC1CNCC(C)N1C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is YEWTUDFXIIOETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-9-7-18-8-10(2)19(9)13(20)11-5-3-4-6-12(11)14(15,16)17/h3-6,9-10,18H,7-8H2,1-2H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
(2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 286.30 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 59376260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).