1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine

C15H20N2O2 — CID 68527248

IUPAC1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine
SMILESC1=CCCC(C(C2=COC=CO2)N2CCNCC2)=C1
InChIInChI=1S/C15H20N2O2/c1-2-4-13(5-3-1)15(14-12-18-10-11-19-14)17-8-6-16-7-9-17/h1-2,4,10-12,15-16H,3,5-9H2
InChIKeyVLUZXVGJDLMFEB-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.90
Rot. Bonds3

About 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine

1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine (PubChem CID 68527248) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine
PubChem CID68527248
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine
SMILESC1=CCCC(C(C2=COC=CO2)N2CCNCC2)=C1
InChIInChI=1S/C15H20N2O2/c1-2-4-13(5-3-1)15(14-12-18-10-11-19-14)17-8-6-16-7-9-17/h1-2,4,10-12,15-16H,3,5-9H2
InChIKeyVLUZXVGJDLMFEB-UHFFFAOYSA-N
XLogP1.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine?
The IUPAC name of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine (CID 68527248) is 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine?
The canonical SMILES for 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine is C1=CCCC(C(C2=COC=CO2)N2CCNCC2)=C1.
What is the InChIKey of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine?
The InChIKey is VLUZXVGJDLMFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-4-13(5-3-1)15(14-12-18-10-11-19-14)17-8-6-16-7-9-17/h1-2,4,10-12,15-16H,3,5-9H2.
What are the key properties of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine?
1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine has a molecular weight of 260.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine is sourced from PubChem (CID 68527248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).