2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone

C15H20F3N3O — CID 67480079

IUPAC2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
SMILESCN(c1ccccc1C(F)(F)F)C1CCN(C(=O)CN)CC1
InChIInChI=1S/C15H20F3N3O/c1-20(11-6-8-21(9-7-11)14(22)10-19)13-5-3-2-4-12(13)15(16,17)18/h2-5,11H,6-10,19H2,1H3
InChIKeySFYYEFCAGKWVGZ-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.09
Rot. Bonds3

About 2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone

2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone (PubChem CID 67480079) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
PubChem CID67480079
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
SMILESCN(c1ccccc1C(F)(F)F)C1CCN(C(=O)CN)CC1
InChIInChI=1S/C15H20F3N3O/c1-20(11-6-8-21(9-7-11)14(22)10-19)13-5-3-2-4-12(13)15(16,17)18/h2-5,11H,6-10,19H2,1H3
InChIKeySFYYEFCAGKWVGZ-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 87065451
2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone
CID 67479866
ethane;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-methyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone
CID 145415413
2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;hydrochloride
CID 66953178
2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285133
4-(2-bromo-N-methylanilino)piperidine-1-carboxylic acid
CID 174643908
1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
CID 171907358
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566688
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113130317
1-[4-[[methyl(pyridin-4-yl)amino]methyl]piperidin-1-yl]-2-[2-(trifluoromethyl)anilino]ethanone
CID 69430671
1-(4-methoxyazepan-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 136522526
N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
CID 69167156

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone (CID 67480079) is 2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone is CN(c1ccccc1C(F)(F)F)C1CCN(C(=O)CN)CC1.
What is the InChIKey of 2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone?
The InChIKey is SFYYEFCAGKWVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-20(11-6-8-21(9-7-11)14(22)10-19)13-5-3-2-4-12(13)15(16,17)18/h2-5,11H,6-10,19H2,1H3.
What are the key properties of 2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone?
2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone has a molecular weight of 315.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[N-methyl-2-(trifluoromethyl)anilino]piperidin-1-yl]ethanone is sourced from PubChem (CID 67480079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).