2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

C16H21F4N3O — CID 72879699

IUPAC2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESCN(C)C(C(=O)N1CCN(CC(F)(F)F)CC1)c1ccccc1F
InChIInChI=1S/C16H21F4N3O/c1-21(2)14(12-5-3-4-6-13(12)17)15(24)23-9-7-22(8-10-23)11-16(18,19)20/h3-6,14H,7-11H2,1-2H3
InChIKeyZHGFBLSFTMLZBT-UHFFFAOYSA-N
MW347.36 g/mol
LogP2.13
Rot. Bonds4

About 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (PubChem CID 72879699) has the molecular formula C16H21F4N3O and a molecular weight of 347.36 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
PubChem CID72879699
Molecular FormulaC16H21F4N3O
Molecular Weight347.36 g/mol
Exact Mass347.16
IUPAC Name2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESCN(C)C(C(=O)N1CCN(CC(F)(F)F)CC1)c1ccccc1F
InChIInChI=1S/C16H21F4N3O/c1-21(2)14(12-5-3-4-6-13(12)17)15(24)23-9-7-22(8-10-23)11-16(18,19)20/h3-6,14H,7-11H2,1-2H3
InChIKeyZHGFBLSFTMLZBT-UHFFFAOYSA-N
XLogP2.13
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
Brl-52656
CID 9865223
Figopitant
CID 9914857
1-(4-Ethylpiperazin-1-yl)-2-phenylethanone
CID 3328378
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(4-trifluoromethyl-phenyl)-acetamide
CID 9821780
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(3-trifluoromethyl-phenyl)-acetamide
CID 10249808
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(2-trifluoromethyl-phenyl)-acetamide
CID 10410240
1-[(4-Trifluoromethylphenyl)acetyl]-2-(1-pyrrolidinylmethyl)piperidine
CID 14810960
(3S,4S)-1-[amino(oxo)acetyl]-N-{(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 25027805
(3S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-oxamoylpiperidine-4-carboxamide
CID 57391771
(3S,4S)-1-[amino(oxo)acetyl]-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 57402221
(4-Methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 16196020

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (CID 72879699) is 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is CN(C)C(C(=O)N1CCN(CC(F)(F)F)CC1)c1ccccc1F.
What is the InChIKey of 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The InChIKey is ZHGFBLSFTMLZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4N3O/c1-21(2)14(12-5-3-4-6-13(12)17)15(24)23-9-7-22(8-10-23)11-16(18,19)20/h3-6,14H,7-11H2,1-2H3.
What are the key properties of 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone has a molecular weight of 347.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 72879699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).