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

C16H22N2O2 — CID 91338905

IUPAC1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]piperazine
SMILESC1=CCCC(CC(C2=COC=CO2)N2CCNCC2)=C1
InChIInChI=1S/C16H22N2O2/c1-2-4-14(5-3-1)12-15(16-13-19-10-11-20-16)18-8-6-17-7-9-18/h1-2,4,10-11,13,15,17H,3,5-9,12H2
InChIKeyWZUQKKDEUUAKFR-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.29
Rot. Bonds4

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

1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]piperazine (PubChem CID 91338905) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]piperazine
PubChem CID91338905
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]piperazine
SMILESC1=CCCC(CC(C2=COC=CO2)N2CCNCC2)=C1
InChIInChI=1S/C16H22N2O2/c1-2-4-14(5-3-1)12-15(16-13-19-10-11-20-16)18-8-6-17-7-9-18/h1-2,4,10-11,13,15,17H,3,5-9,12H2
InChIKeyWZUQKKDEUUAKFR-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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Related Compounds

N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-N-methylpiperidin-4-amine
CID 66746280
(1R)-1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)methanamine
CID 67065381
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine
CID 68527248
1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)methanamine
CID 68746131
N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]pyrrolidin-3-amine
CID 68747443
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine
CID 71147185
N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine
CID 90941848
2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 90967186
2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine
CID 91214620
N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]pyrrolidin-3-amine
CID 91259682
1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine
CID 91315062
2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]ethanamine
CID 91390198

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]piperazine?
The IUPAC name of 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]piperazine (CID 91338905) is 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]piperazine is C1=CCCC(CC(C2=COC=CO2)N2CCNCC2)=C1.
What is the InChIKey of 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]piperazine?
The InChIKey is WZUQKKDEUUAKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-4-14(5-3-1)12-15(16-13-19-10-11-20-16)18-8-6-17-7-9-18/h1-2,4,10-11,13,15,17H,3,5-9,12H2.
What are the key properties of 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]piperazine?
1-[2-cyclohexa-1,3-dien-1-yl-1-(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-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]piperazine is sourced from PubChem (CID 91338905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).