4-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]piperidine

C15H19NO3 — CID 68643930

IUPAC4-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]piperidine
SMILESC1=CCCC(C2=COC=C(OC3CCNCC3)O2)=C1
InChIInChI=1S/C15H19NO3/c1-2-4-12(5-3-1)14-10-17-11-15(19-14)18-13-6-8-16-9-7-13/h1-2,4,10-11,13,16H,3,5-9H2
InChIKeyDBDRYZHKGBPDRR-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.72
Rot. Bonds3

About 4-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]piperidine

4-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]piperidine (PubChem CID 68643930) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]piperidine.

Molecular Properties

Compound Name4-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]piperidine
PubChem CID68643930
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]piperidine
SMILESC1=CCCC(C2=COC=C(OC3CCNCC3)O2)=C1
InChIInChI=1S/C15H19NO3/c1-2-4-12(5-3-1)14-10-17-11-15(19-14)18-13-6-8-16-9-7-13/h1-2,4,10-11,13,16H,3,5-9H2
InChIKeyDBDRYZHKGBPDRR-UHFFFAOYSA-N
XLogP2.72
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]piperidine?
The IUPAC name of 4-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]piperidine (CID 68643930) is 4-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]piperidine.
What is the SMILES notation for 4-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]piperidine?
The canonical SMILES for 4-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]piperidine is C1=CCCC(C2=COC=C(OC3CCNCC3)O2)=C1.
What is the InChIKey of 4-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]piperidine?
The InChIKey is DBDRYZHKGBPDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-4-12(5-3-1)14-10-17-11-15(19-14)18-13-6-8-16-9-7-13/h1-2,4,10-11,13,16H,3,5-9H2.
What are the key properties of 4-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]piperidine?
4-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]piperidine has a molecular weight of 261.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)oxy]piperidine is sourced from PubChem (CID 68643930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).