6-[1-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C20H22F3N3O3 — CID 146287100

IUPAC6-[1-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(c1ccc2c(n1)OCCO2)N1CCC(Oc2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C20H22F3N3O3/c1-13(16-3-4-17-19(25-16)28-11-10-27-17)26-8-6-14(7-9-26)29-15-2-5-18(24-12-15)20(21,22)23/h2-5,12-14H,6-11H2,1H3
InChIKeyJMQLEOHHZVFZSQ-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.87
Rot. Bonds4

About 6-[1-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-[1-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146287100) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is 6-[1-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-[1-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID146287100
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC Name6-[1-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(c1ccc2c(n1)OCCO2)N1CCC(Oc2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C20H22F3N3O3/c1-13(16-3-4-17-19(25-16)28-11-10-27-17)26-8-6-14(7-9-26)29-15-2-5-18(24-12-15)20(21,22)23/h2-5,12-14H,6-11H2,1H3
InChIKeyJMQLEOHHZVFZSQ-UHFFFAOYSA-N
XLogP3.87
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-[1-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146287100) is 6-[1-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 6-[1-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-[1-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is CC(c1ccc2c(n1)OCCO2)N1CCC(Oc2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of 6-[1-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is JMQLEOHHZVFZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-13(16-3-4-17-19(25-16)28-11-10-27-17)26-8-6-14(7-9-26)29-15-2-5-18(24-12-15)20(21,22)23/h2-5,12-14H,6-11H2,1H3.
What are the key properties of 6-[1-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[1-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 409.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146287100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).