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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Related Compounds

2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol
CID 71136901
2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 118563650
ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine
CID 144816585
1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene
CID 91883597
2,4-dimethyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 146013682
4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenol
CID 117219397
4-[(4-methyl-2-oxopiperazin-1-yl)methyl]benzoic acid;hydrochloride
CID 142651914
1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine
CID 131995664
1,5-dimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
CID 178094540
(3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine
CID 130286479
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220
4-ethyl-1-[[4-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 166062526

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).