6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C21H24F3N3O3 — CID 146287042

IUPAC6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(c1ccc2c(n1)OCCO2)N1CCC(COc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H24F3N3O3/c1-14(17-3-4-18-20(26-17)29-11-10-28-18)27-8-6-15(7-9-27)13-30-19-5-2-16(12-25-19)21(22,23)24/h2-5,12,14-15H,6-11,13H2,1H3
InChIKeyFPNCPOZCYBJADR-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.12
Rot. Bonds5

About 6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146287042) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is 6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID146287042
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC Name6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(c1ccc2c(n1)OCCO2)N1CCC(COc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H24F3N3O3/c1-14(17-3-4-18-20(26-17)29-11-10-28-18)27-8-6-15(7-9-27)13-30-19-5-2-16(12-25-19)21(22,23)24/h2-5,12,14-15H,6-11,13H2,1H3
InChIKeyFPNCPOZCYBJADR-UHFFFAOYSA-N
XLogP4.12
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146287042) is 6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is CC(c1ccc2c(n1)OCCO2)N1CCC(COc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is FPNCPOZCYBJADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-14(17-3-4-18-20(26-17)29-11-10-28-18)27-8-6-15(7-9-27)13-30-19-5-2-16(12-25-19)21(22,23)24/h2-5,12,14-15H,6-11,13H2,1H3.
What are the key properties of 6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 423.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146287042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).