1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone

C15H19F3N2O — CID 63909222

IUPAC1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCC1CNCC(C)N1C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-10-8-19-9-11(2)20(10)14(21)7-12-3-5-13(6-4-12)15(16,17)18/h3-6,10-11,19H,7-9H2,1-2H3
InChIKeyYMHXWXDMPZHVCC-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.46
Rot. Bonds2

About 1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone

1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 63909222) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID63909222
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCC1CNCC(C)N1C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-10-8-19-9-11(2)20(10)14(21)7-12-3-5-13(6-4-12)15(16,17)18/h3-6,10-11,19H,7-9H2,1-2H3
InChIKeyYMHXWXDMPZHVCC-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 153467077
1-[(3R)-3-methylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 81426431
1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 90627294
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212
N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119452098
2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 63910205
1-[(4-chlorophenyl)methyl]-3-[4-[2-(2,6-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]urea
CID 156825259
1-[(3S)-3-methyl-4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]prop-2-en-1-one
CID 167802319
1-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 70719686
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 50999929
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenyl)ethanone;ethane
CID 145332468

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone (CID 63909222) is 1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone is CC1CNCC(C)N1C(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is YMHXWXDMPZHVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10-8-19-9-11(2)20(10)14(21)7-12-3-5-13(6-4-12)15(16,17)18/h3-6,10-11,19H,7-9H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 300.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 63909222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).