1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

C17H24F3NO3 — CID 110906834

IUPAC1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCCOC1CCN(CC(O)COc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H24F3NO3/c1-2-23-15-6-8-21(9-7-15)11-14(22)12-24-16-5-3-4-13(10-16)17(18,19)20/h3-5,10,14-15,22H,2,6-9,11-12H2,1H3
InChIKeyTXXDCCNXOREEQU-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.95
Rot. Bonds7

About 1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 110906834) has the molecular formula C17H24F3NO3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID110906834
Molecular FormulaC17H24F3NO3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCCOC1CCN(CC(O)COc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H24F3NO3/c1-2-23-15-6-8-21(9-7-15)11-14(22)12-24-16-5-3-4-13(10-16)17(18,19)20/h3-5,10,14-15,22H,2,6-9,11-12H2,1H3
InChIKeyTXXDCCNXOREEQU-UHFFFAOYSA-N
XLogP2.95
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone
CID 110906728
1-(2,6-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 59563443
4-[3-(4-ethoxypiperidin-1-yl)-2-hydroxypropoxy]benzonitrile
CID 110901888
4-methyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241710
1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 111448372
1-pyrrolidin-1-yl-3-[4-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 21396081
(2S)-1-cyclopentyloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 42588080
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide
CID 111102933
1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 54162166
(2S)-1-[(2R)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]butan-2-ol
CID 99730970
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol (CID 110906834) is 1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol is CCOC1CCN(CC(O)COc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is TXXDCCNXOREEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO3/c1-2-23-15-6-8-21(9-7-15)11-14(22)12-24-16-5-3-4-13(10-16)17(18,19)20/h3-5,10,14-15,22H,2,6-9,11-12H2,1H3.
What are the key properties of 1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 347.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 110906834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).