1-[2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]piperazine

C16H22N2O2 — CID 68779781

IUPAC1-[2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]piperazine
SMILESC1=CCCC(C2=COC=C(CCN3CCNCC3)O2)=C1
InChIInChI=1S/C16H22N2O2/c1-2-4-14(5-3-1)16-13-19-12-15(20-16)6-9-18-10-7-17-8-11-18/h1-2,4,12-13,17H,3,5-11H2
InChIKeyLCFKWQVBCPEUGG-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.29
Rot. Bonds4

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

1-[2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]piperazine (PubChem CID 68779781) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]piperazine
PubChem CID68779781
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]piperazine
SMILESC1=CCCC(C2=COC=C(CCN3CCNCC3)O2)=C1
InChIInChI=1S/C16H22N2O2/c1-2-4-14(5-3-1)16-13-19-12-15(20-16)6-9-18-10-7-17-8-11-18/h1-2,4,12-13,17H,3,5-11H2
InChIKeyLCFKWQVBCPEUGG-UHFFFAOYSA-N
XLogP2.29
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]piperazine (CID 68779781) is 1-[2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]piperazine is C1=CCCC(C2=COC=C(CCN3CCNCC3)O2)=C1.
What is the InChIKey of 1-[2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]piperazine?
The InChIKey is LCFKWQVBCPEUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-4-14(5-3-1)16-13-19-12-15(20-16)6-9-18-10-7-17-8-11-18/h1-2,4,12-13,17H,3,5-11H2.
What are the key properties of 1-[2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]piperazine?
1-[2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]piperazine has a molecular weight of 274.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]piperazine is sourced from PubChem (CID 68779781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).