1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone

C16H21F3N2O3 — CID 110906728

IUPAC1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(O)COc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H21F3N2O3/c1-12(22)21-7-5-20(6-8-21)10-14(23)11-24-15-4-2-3-13(9-15)16(17,18)19/h2-4,9,14,23H,5-8,10-11H2,1H3
InChIKeyRONGRXSYIMAKRA-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.61
Rot. Bonds5

About 1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone

1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone (PubChem CID 110906728) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone
PubChem CID110906728
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(O)COc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H21F3N2O3/c1-12(22)21-7-5-20(6-8-21)10-14(23)11-24-15-4-2-3-13(9-15)16(17,18)19/h2-4,9,14,23H,5-8,10-11H2,1H3
InChIKeyRONGRXSYIMAKRA-UHFFFAOYSA-N
XLogP1.61
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 110906834
1-(2,6-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 59563443
N-[4-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]acetamide
CID 18559038
1-pyrrolidin-1-yl-3-[4-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 21396081
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide
CID 111102933
1-[2-[(2S)-2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]ethanone
CID 1252724
(2S)-1-(3-bromophenoxy)-3-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol
CID 2114419
1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 111448372
4-methyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241710
1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 110906345
1-(4-ethylphenoxy)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol
CID 55346498

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone (CID 110906728) is 1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CC(O)COc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone?
The InChIKey is RONGRXSYIMAKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-12(22)21-7-5-20(6-8-21)10-14(23)11-24-15-4-2-3-13(9-15)16(17,18)19/h2-4,9,14,23H,5-8,10-11H2,1H3.
What are the key properties of 1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone?
1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone has a molecular weight of 346.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110906728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).