2-[4-amino-2-(trifluoromethyl)phenyl]-1-(4-ethylpiperazin-1-yl)ethanone

C15H20F3N3O — CID 69248046

IUPAC2-[4-amino-2-(trifluoromethyl)phenyl]-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2ccc(N)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O/c1-2-20-5-7-21(8-6-20)14(22)9-11-3-4-12(19)10-13(11)15(16,17)18/h3-4,10H,2,5-9,19H2,1H3
InChIKeyYZTDLMPJWMSPBE-UHFFFAOYSA-N
MW315.34 g/mol
LogP1.99
Rot. Bonds3

About 2-[4-amino-2-(trifluoromethyl)phenyl]-1-(4-ethylpiperazin-1-yl)ethanone

2-[4-amino-2-(trifluoromethyl)phenyl]-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 69248046) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-[4-amino-2-(trifluoromethyl)phenyl]-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-amino-2-(trifluoromethyl)phenyl]-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID69248046
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name2-[4-amino-2-(trifluoromethyl)phenyl]-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2ccc(N)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O/c1-2-20-5-7-21(8-6-20)14(22)9-11-3-4-12(19)10-13(11)15(16,17)18/h3-4,10H,2,5-9,19H2,1H3
InChIKeyYZTDLMPJWMSPBE-UHFFFAOYSA-N
XLogP1.99
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethylpiperazin-1-yl)oxy-3-(trifluoromethyl)aniline
CID 169032840
2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetic acid
CID 159866022
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 57431451
2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 51072972
2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879430
(2S)-4-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-2-tert-butyl-2-methylpiperazine-1-carboxylic acid
CID 67241522
2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110766836
4-(fluoromethyl)-3-(trifluoromethyl)aniline
CID 91883575
4-bromo-3-(trifluoromethyl)aniline;4-ethyl-3-(trifluoromethyl)aniline
CID 158064528
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(trifluoromethyl)phenyl]-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-amino-2-(trifluoromethyl)phenyl]-1-(4-ethylpiperazin-1-yl)ethanone (CID 69248046) is 2-[4-amino-2-(trifluoromethyl)phenyl]-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-amino-2-(trifluoromethyl)phenyl]-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-amino-2-(trifluoromethyl)phenyl]-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)Cc2ccc(N)cc2C(F)(F)F)CC1.
What is the InChIKey of 2-[4-amino-2-(trifluoromethyl)phenyl]-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is YZTDLMPJWMSPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-2-20-5-7-21(8-6-20)14(22)9-11-3-4-12(19)10-13(11)15(16,17)18/h3-4,10H,2,5-9,19H2,1H3.
What are the key properties of 2-[4-amino-2-(trifluoromethyl)phenyl]-1-(4-ethylpiperazin-1-yl)ethanone?
2-[4-amino-2-(trifluoromethyl)phenyl]-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 315.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(trifluoromethyl)phenyl]-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 69248046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).