1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone

C15H19F3N2O2 — CID 120572097

IUPAC1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESCC1NCCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1C
InChIInChI=1S/C15H19F3N2O2/c1-10-11(2)20(8-7-19-10)14(21)9-12-3-5-13(6-4-12)22-15(16,17)18/h3-6,10-11,19H,7-9H2,1-2H3
InChIKeySRLKJAZQFULLDS-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.34
Rot. Bonds3

About 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone

1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 120572097) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
PubChem CID120572097
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESCC1NCCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1C
InChIInChI=1S/C15H19F3N2O2/c1-10-11(2)20(8-7-19-10)14(21)9-12-3-5-13(6-4-12)22-15(16,17)18/h3-6,10-11,19H,7-9H2,1-2H3
InChIKeySRLKJAZQFULLDS-UHFFFAOYSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone (CID 120572097) is 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone is CC1NCCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1C.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is SRLKJAZQFULLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-10-11(2)20(8-7-19-10)14(21)9-12-3-5-13(6-4-12)22-15(16,17)18/h3-6,10-11,19H,7-9H2,1-2H3.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 316.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 120572097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).