1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine

C19H27NO2 — CID 90817825

IUPAC1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(C(CC2=CC=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C19H27NO2/c1-15-10-16(2)13-20(12-15)18(19-14-21-8-9-22-19)11-17-6-4-3-5-7-17/h3-4,6,8-9,14-16,18H,5,7,10-13H2,1-2H3
InChIKeyOOYLZSNSMRULOR-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.36
Rot. Bonds4

About 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine

1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine (PubChem CID 90817825) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine
PubChem CID90817825
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(C(CC2=CC=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C19H27NO2/c1-15-10-16(2)13-20(12-15)18(19-14-21-8-9-22-19)11-17-6-4-3-5-7-17/h3-4,6,8-9,14-16,18H,5,7,10-13H2,1-2H3
InChIKeyOOYLZSNSMRULOR-UHFFFAOYSA-N
XLogP4.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

1-[1,4-Dioxin-2-yl-(3-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine
CID 68742691
1-[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine
CID 90797947
[1-[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-fluoropiperidin-3-yl]methanol
CID 91047987
(10bS)-7-methoxy-4-(2-methoxyethyl)-3-methyl-2,3,6,6a,10a,10b-hexahydro-1H-benzo[f]quinoline
CID 57050014
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(2-methoxyethyl)piperidine
CID 66726822
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(methoxymethyl)-3-prop-2-enylpiperidine
CID 66726850
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-ethyl-3-(methoxymethyl)piperidine
CID 66726856
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine
CID 66726881
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(ethoxymethyl)-3-methylpiperidine
CID 66726947
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(2-methoxypropan-2-yl)-3-methylpiperidine
CID 66727027
1-[(2-Tert-butylcyclohexa-1,3-dien-1-yl)-(1,4-dioxin-2-yl)methyl]-3,5-dimethylpiperidine
CID 66727108
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3-(methoxymethyl)-3-methylpiperidine
CID 66727114

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine (CID 90817825) is 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine is CC1CC(C)CN(C(CC2=CC=CCC2)C2=COC=CO2)C1.
What is the InChIKey of 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine?
The InChIKey is OOYLZSNSMRULOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-15-10-16(2)13-20(12-15)18(19-14-21-8-9-22-19)11-17-6-4-3-5-7-17/h3-4,6,8-9,14-16,18H,5,7,10-13H2,1-2H3.
What are the key properties of 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine?
1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine has a molecular weight of 301.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 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]-3,5-dimethylpiperidine is sourced from PubChem (CID 90817825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).