1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine

C18H23NO2 — CID 91315062

IUPAC1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(C(CC2=CC=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C18H23NO2/c1-15-6-5-9-19(13-15)17(18-14-20-10-11-21-18)12-16-7-3-2-4-8-16/h2-3,6-7,10-11,14,17H,4-5,8-9,12-13H2,1H3
InChIKeyXICWKBGVWSRZKZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.03
Rot. Bonds4

About 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine

1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine (PubChem CID 91315062) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine
PubChem CID91315062
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(C(CC2=CC=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C18H23NO2/c1-15-6-5-9-19(13-15)17(18-14-20-10-11-21-18)12-16-7-3-2-4-8-16/h2-3,6-7,10-11,14,17H,4-5,8-9,12-13H2,1H3
InChIKeyXICWKBGVWSRZKZ-UHFFFAOYSA-N
XLogP4.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine with MolForge

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Launch Full Analysis

Related Compounds

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]-3,5-dimethylpiperidine
CID 66726881
2-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline
CID 66726931
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]-5-methyl-3,6-dihydro-2H-pyridine
CID 66727122
1-[(2-Tert-butylcyclohexa-1,3-dien-1-yl)-(1,4-dioxin-2-yl)methyl]-3-methylpiperidine
CID 66727174
1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine
CID 66727342
1-[(2-Tert-butylcyclohexa-1,3-dien-1-yl)-(1,4-dioxin-2-yl)methyl]-3,3-dimethylpiperidine
CID 66727380
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine
CID 71147185
[1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanol
CID 90734162
1-[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine
CID 90817825
1-[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(methoxymethyl)-3-methylpiperidine
CID 90842675

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine (CID 91315062) is 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine is CC1=CCCN(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]-5-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is XICWKBGVWSRZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15-6-5-9-19(13-15)17(18-14-20-10-11-21-18)12-16-7-3-2-4-8-16/h2-3,6-7,10-11,14,17H,4-5,8-9,12-13H2,1H3.
What are the key properties of 1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine?
1-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 285.39 g/mol, XLogP of 4.03, 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]-5-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 91315062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).