2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine

C18H26N2O2 — CID 90967186

IUPAC2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESC1=CCCC(CC(NCC2CCCNC2)C2=COC=CO2)=C1
InChIInChI=1S/C18H26N2O2/c1-2-5-15(6-3-1)11-17(18-14-21-9-10-22-18)20-13-16-7-4-8-19-12-16/h1-2,5,9-10,14,16-17,19-20H,3-4,6-8,11-13H2
InChIKeyZIBHZIDBNYCYDQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.97
Rot. Bonds6

About 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine

2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 90967186) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID90967186
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESC1=CCCC(CC(NCC2CCCNC2)C2=COC=CO2)=C1
InChIInChI=1S/C18H26N2O2/c1-2-5-15(6-3-1)11-17(18-14-21-9-10-22-18)20-13-16-7-4-8-19-12-16/h1-2,5,9-10,14,16-17,19-20H,3-4,6-8,11-13H2
InChIKeyZIBHZIDBNYCYDQ-UHFFFAOYSA-N
XLogP2.97
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine with MolForge

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Launch Full Analysis

Related Compounds

N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-N-methylpiperidin-4-amine
CID 66746280
3,4,4a,5,6,6a-hexahydro-2H-benzo[h][1,4]benzoxazine;hydrochloride
CID 66771728
3,4,4a,5,6,6a-hexahydro-2H-benzo[h][1,4]benzoxazine
CID 66771729
3,4,4a,5,5a,6-hexahydro-2H-benzo[g][1,4]benzoxazine
CID 67005346
(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
3-Oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1,12,14-triene
CID 70497539
2-[4-[[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-methylamino]piperidin-4-yl]ethanol
CID 90776847
1-[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine
CID 90817825
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-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine
CID 91214620

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine (CID 90967186) is 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine is C1=CCCC(CC(NCC2CCCNC2)C2=COC=CO2)=C1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is ZIBHZIDBNYCYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-5-15(6-3-1)11-17(18-14-21-9-10-22-18)20-13-16-7-4-8-19-12-16/h1-2,5,9-10,14,16-17,19-20H,3-4,6-8,11-13H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine?
2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 302.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 90967186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).