1-[4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]phenyl]ethanone

C18H17F3N2O2 — CID 53206474

IUPAC1-[4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2c(F)c(F)nc(N3CCCCC3)c2F)cc1
InChIInChI=1S/C18H17F3N2O2/c1-11(24)12-5-7-13(8-6-12)25-16-14(19)17(21)22-18(15(16)20)23-9-3-2-4-10-23/h5-8H,2-4,9-10H2,1H3
InChIKeyRUFIYMMGULGGKY-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.48
Rot. Bonds4

About 1-[4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]phenyl]ethanone

1-[4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]phenyl]ethanone (PubChem CID 53206474) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 1-[4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]phenyl]ethanone
PubChem CID53206474
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name1-[4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2c(F)c(F)nc(N3CCCCC3)c2F)cc1
InChIInChI=1S/C18H17F3N2O2/c1-11(24)12-5-7-13(8-6-12)25-16-14(19)17(21)22-18(15(16)20)23-9-3-2-4-10-23/h5-8H,2-4,9-10H2,1H3
InChIKeyRUFIYMMGULGGKY-UHFFFAOYSA-N
XLogP4.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(4-Ethoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 891507
1-[4-(6-Methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone
CID 697265
Methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate
CID 6620818
[2-(4-Ethoxyphenyl)-2-oxoethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 16279350
1-[4-[3-(4-Pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 155519671
1-[4-[4-(4-Pyridin-2-ylpiperazin-1-yl)butoxy]phenyl]ethanone
CID 155522957
1-[4-[3-(4-Pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone
CID 155561504
Methyl 4-[(2,3,5-trifluoro-6-morpholin-4-ylpyridin-4-yl)oxy]benzoate
CID 2055301
(E)-3-(dimethylamino)-1-(4-{2-[methyl(2-pyridinyl)amino]ethoxy}phenyl)-2-propen-1-one
CID 5815537
2-(4-Acetylphenoxy)-1-{4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}ethan-1-one
CID 2741601
2,3,5-Trifluoro-4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyridine
CID 3649933
[1-(4-Ethoxyphenyl)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 16282191

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]phenyl]ethanone (CID 53206474) is 1-[4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]phenyl]ethanone is CC(=O)c1ccc(Oc2c(F)c(F)nc(N3CCCCC3)c2F)cc1.
What is the InChIKey of 1-[4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]phenyl]ethanone?
The InChIKey is RUFIYMMGULGGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-11(24)12-5-7-13(8-6-12)25-16-14(19)17(21)22-18(15(16)20)23-9-3-2-4-10-23/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 1-[4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]phenyl]ethanone?
1-[4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]phenyl]ethanone has a molecular weight of 350.34 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,3,5-trifluoro-6-piperidin-1-yl-4-pyridinyl)oxy]phenyl]ethanone is sourced from PubChem (CID 53206474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).