4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one

C14H17F3N2O — CID 144622856

IUPAC4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one
SMILESCc1ccc(CN2CCN(C)CC2=O)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c1-10-3-4-11(12(7-10)14(15,16)17)8-19-6-5-18(2)9-13(19)20/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyGUSSPKIILYAFOG-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.29
Rot. Bonds2

About 4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one

4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one (PubChem CID 144622856) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one
PubChem CID144622856
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one
SMILESCc1ccc(CN2CCN(C)CC2=O)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c1-10-3-4-11(12(7-10)14(15,16)17)8-19-6-5-18(2)9-13(19)20/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyGUSSPKIILYAFOG-UHFFFAOYSA-N
XLogP2.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one?
The IUPAC name of 4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one (CID 144622856) is 4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one.
What is the SMILES notation for 4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one?
The canonical SMILES for 4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one is Cc1ccc(CN2CCN(C)CC2=O)c(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one?
The InChIKey is GUSSPKIILYAFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-10-3-4-11(12(7-10)14(15,16)17)8-19-6-5-18(2)9-13(19)20/h3-4,7H,5-6,8-9H2,1-2H3.
What are the key properties of 4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one?
4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one has a molecular weight of 286.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one is sourced from PubChem (CID 144622856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).