1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane

C20H32F3N3O — CID 145187473

IUPAC1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane
SMILESCC.CCN(CC)c1cc(C(F)(F)F)ccc1CN1CCN(C(C)=O)CC1
InChIInChI=1S/C18H26F3N3O.C2H6/c1-4-23(5-2)17-12-16(18(19,20)21)7-6-15(17)13-22-8-10-24(11-9-22)14(3)25;1-2/h6-7,12H,4-5,8-11,13H2,1-3H3;1-2H3
InChIKeyKRSJPBFIZOOXGS-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.24
Rot. Bonds5

About 1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane

1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane (PubChem CID 145187473) has the molecular formula C20H32F3N3O and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane.

Molecular Properties

Compound Name1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane
PubChem CID145187473
Molecular FormulaC20H32F3N3O
Molecular Weight387.49 g/mol
Exact Mass387.25
IUPAC Name1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane
SMILESCC.CCN(CC)c1cc(C(F)(F)F)ccc1CN1CCN(C(C)=O)CC1
InChIInChI=1S/C18H26F3N3O.C2H6/c1-4-23(5-2)17-12-16(18(19,20)21)7-6-15(17)13-22-8-10-24(11-9-22)14(3)25;1-2/h6-7,12H,4-5,8-11,13H2,1-3H3;1-2H3
InChIKeyKRSJPBFIZOOXGS-UHFFFAOYSA-N
XLogP4.24
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-5-(trifluoromethyl)benzoic acid
CID 134348857
tert-butyl 4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 118378621
N-[1-[4-[[4-chloro-2-(diethylamino)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide
CID 145315568
methanesulfonic acid;4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylic acid
CID 166756567
4-fluoro-4-methyl-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine
CID 138699848
3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 27756533
N-[1-[4-[[2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide
CID 135332203
4-[[2-[(4-ethoxy-4-oxobutyl)amino]-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 154023539
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
(4-ethylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 55433059
tert-butyl 4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 158931269
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 18155853

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane?
The IUPAC name of 1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane (CID 145187473) is 1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane.
What is the SMILES notation for 1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane?
The canonical SMILES for 1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane is CC.CCN(CC)c1cc(C(F)(F)F)ccc1CN1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane?
The InChIKey is KRSJPBFIZOOXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O.C2H6/c1-4-23(5-2)17-12-16(18(19,20)21)7-6-15(17)13-22-8-10-24(11-9-22)14(3)25;1-2/h6-7,12H,4-5,8-11,13H2,1-3H3;1-2H3.
What are the key properties of 1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane?
1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane has a molecular weight of 387.49 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(diethylamino)-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;ethane is sourced from PubChem (CID 145187473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).