1-[1,4-dioxin-2-yl-(3-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine

C19H26FNO3 — CID 68742691

IUPAC1-[1,4-dioxin-2-yl-(3-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine
SMILESCOCC1(C)CCCN(C(C2=CC(F)=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C19H26FNO3/c1-19(14-22-2)7-4-8-21(13-19)18(17-12-23-9-10-24-17)15-5-3-6-16(20)11-15/h6,9-12,18H,3-5,7-8,13-14H2,1-2H3
InChIKeySEYFWZLTWQIEJO-UHFFFAOYSA-N
MW335.42 g/mol
LogP4.04
Rot. Bonds5

About 1-[1,4-dioxin-2-yl-(3-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine

1-[1,4-dioxin-2-yl-(3-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine (PubChem CID 68742691) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-[1,4-dioxin-2-yl-(3-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine.

Molecular Properties

Compound Name1-[1,4-dioxin-2-yl-(3-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine
PubChem CID68742691
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name1-[1,4-dioxin-2-yl-(3-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine
SMILESCOCC1(C)CCCN(C(C2=CC(F)=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C19H26FNO3/c1-19(14-22-2)7-4-8-21(13-19)18(17-12-23-9-10-24-17)15-5-3-6-16(20)11-15/h6,9-12,18H,3-5,7-8,13-14H2,1-2H3
InChIKeySEYFWZLTWQIEJO-UHFFFAOYSA-N
XLogP4.04
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1,4-dioxin-2-yl-(3-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine?
The IUPAC name of 1-[1,4-dioxin-2-yl-(3-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine (CID 68742691) is 1-[1,4-dioxin-2-yl-(3-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine.
What is the SMILES notation for 1-[1,4-dioxin-2-yl-(3-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine?
The canonical SMILES for 1-[1,4-dioxin-2-yl-(3-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine is COCC1(C)CCCN(C(C2=CC(F)=CCC2)C2=COC=CO2)C1.
What is the InChIKey of 1-[1,4-dioxin-2-yl-(3-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine?
The InChIKey is SEYFWZLTWQIEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO3/c1-19(14-22-2)7-4-8-21(13-19)18(17-12-23-9-10-24-17)15-5-3-6-16(20)11-15/h6,9-12,18H,3-5,7-8,13-14H2,1-2H3.
What are the key properties of 1-[1,4-dioxin-2-yl-(3-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine?
1-[1,4-dioxin-2-yl-(3-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine has a molecular weight of 335.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,4-dioxin-2-yl-(3-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine is sourced from PubChem (CID 68742691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).