2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine

C18H20F6N4O2 — CID 59356390

IUPAC2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCCOCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H20F6N4O2/c1-2-29-11-28-16(9-14(26-28)18(22,23)24)30-13-5-7-27(8-6-13)15-4-3-12(10-25-15)17(19,20)21/h3-4,9-10,13H,2,5-8,11H2,1H3
InChIKeyQOIHNOPHDYIJDB-UHFFFAOYSA-N
MW438.37 g/mol
LogP4.36
Rot. Bonds6

About 2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine

2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 59356390) has the molecular formula C18H20F6N4O2 and a molecular weight of 438.37 g/mol. Its IUPAC name is 2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID59356390
Molecular FormulaC18H20F6N4O2
Molecular Weight438.37 g/mol
Exact Mass438.15
IUPAC Name2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCCOCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H20F6N4O2/c1-2-29-11-28-16(9-14(26-28)18(22,23)24)30-13-5-7-27(8-6-13)15-4-3-12(10-25-15)17(19,20)21/h3-4,9-10,13H,2,5-8,11H2,1H3
InChIKeyQOIHNOPHDYIJDB-UHFFFAOYSA-N
XLogP4.36
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]methanol
CID 76901141
(1R,5R)-8-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane
CID 71495693
N-[5-(trifluoromethyl)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxyphenoxy]propan-1-amine
CID 154558513
2-[(3S,4S)-3-methyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 71495595
2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine
CID 75917771
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62592662
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
5-methoxy-2-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxypyrimidine
CID 163345898
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate
CID 47070407

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine (CID 59356390) is 2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine is CCOCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is QOIHNOPHDYIJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F6N4O2/c1-2-29-11-28-16(9-14(26-28)18(22,23)24)30-13-5-7-27(8-6-13)15-4-3-12(10-25-15)17(19,20)21/h3-4,9-10,13H,2,5-8,11H2,1H3.
What are the key properties of 2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 438.37 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 59356390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).