chloromethoxyethane;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;methane;5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine

C55H65ClF18N12O6 — CID 161122317

About chloromethoxyethane;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;methane;5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine

chloromethoxyethane;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;methane;5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine (PubChem CID 161122317) has the molecular formula C55H65ClF18N12O6 and a molecular weight of 1367.62 g/mol. Its IUPAC name is chloromethoxyethane;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;methane;5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine.

Molecular Properties

• Compound Name: chloromethoxyethane;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;methane;5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine
• PubChem CID: 161122317
• Molecular Formula: C55H65ClF18N12O6
• Molecular Weight: 1367.62 g/mol
• Exact Mass: 1366.46
• IUPAC Name: chloromethoxyethane;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;methane;5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine
• SMILES: C.CCOCCl.CCOCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1.CCOCn1nc(OC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C(F)(F)F.FC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)[nH]n3)CC2)nc1
• InChI: InChI=1S/2C18H20F6N4O2.C15H14F6N4O.C3H7ClO.CH4/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;1-2-29-11-28-16(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;16-14(17,18)9-1-2-12(22-8-9)25-5-3-10(4-6-25)26-13-7-11(23-24-13)15(19,20)21;1-2-5-3-4;/h2*3-4,9-10,13H,2,5-8,11H2,1H3;1-2,7-8,10H,3-6H2,(H,23,24);2-3H2,1H3;1H4
• InChIKey: ULCLXXYAXKHYTA-UHFFFAOYSA-N
• XLogP: 14.46
• TPSA: 168.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1367.62
LogP ≤ 5	14.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chloromethoxyethane;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;methane;5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine?

The IUPAC name of chloromethoxyethane;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;methane;5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine (CID 161122317) is chloromethoxyethane;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;methane;5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine.

What is the SMILES notation for chloromethoxyethane;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;methane;5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine?

The canonical SMILES for chloromethoxyethane;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;methane;5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine is C.CCOCCl.CCOCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1.CCOCn1nc(OC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C(F)(F)F.FC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)[nH]n3)CC2)nc1.

What is the InChIKey of chloromethoxyethane;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;methane;5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine?

The InChIKey is ULCLXXYAXKHYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H20F6N4O2.C15H14F6N4O.C3H7ClO.CH4/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;1-2-29-11-28-16(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;16-14(17,18)9-1-2-12(22-8-9)25-5-3-10(4-6-25)26-13-7-11(23-24-13)15(19,20)21;1-2-5-3-4;/h2*3-4,9-10,13H,2,5-8,11H2,1H3;1-2,7-8,10H,3-6H2,(H,23,24);2-3H2,1H3;1H4.

What are the key properties of chloromethoxyethane;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;methane;5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine?

chloromethoxyethane;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;methane;5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine has a molecular weight of 1367.62 g/mol, XLogP of 14.46, 17 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for chloromethoxyethane;2-[4-[1-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[4-[1-(ethoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]oxypiperidin-1-yl]-5-(trifluoromethyl)pyridine;methane;5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine is sourced from PubChem (CID 161122317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).