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

C18H20F6N4O2 — CID 59356381

IUPAC2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCCOCn1nc(OC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C(F)(F)F
InChIInChI=1S/C18H20F6N4O2/c1-2-29-11-28-14(18(22,23)24)9-16(26-28)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
InChIKeySCPCRDUYMNHWDN-UHFFFAOYSA-N
MW438.37 g/mol
LogP4.36
Rot. Bonds6

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

2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 59356381) has the molecular formula C18H20F6N4O2 and a molecular weight of 438.37 g/mol. Its IUPAC name is 2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID59356381
Molecular FormulaC18H20F6N4O2
Molecular Weight438.37 g/mol
Exact Mass438.15
IUPAC Name2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCCOCn1nc(OC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C(F)(F)F
InChIInChI=1S/C18H20F6N4O2/c1-2-29-11-28-14(18(22,23)24)9-16(26-28)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
InChIKeySCPCRDUYMNHWDN-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine (CID 59356381) is 2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine is CCOCn1nc(OC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is SCPCRDUYMNHWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F6N4O2/c1-2-29-11-28-14(18(22,23)24)9-16(26-28)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)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine?
2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-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)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 59356381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).