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

C18H23NO2 — CID 66727342

IUPAC1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=CC(C)CN(C(C2=CC=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C18H23NO2/c1-14-10-15(2)12-19(11-14)18(16-6-4-3-5-7-16)17-13-20-8-9-21-17/h3-4,6,8-10,13-14,18H,5,7,11-12H2,1-2H3
InChIKeyCIIAQKLRDJHHRQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.89
Rot. Bonds3

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

1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine (PubChem CID 66727342) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine
PubChem CID66727342
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=CC(C)CN(C(C2=CC=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C18H23NO2/c1-14-10-15(2)12-19(11-14)18(16-6-4-3-5-7-16)17-13-20-8-9-21-17/h3-4,6,8-10,13-14,18H,5,7,11-12H2,1-2H3
InChIKeyCIIAQKLRDJHHRQ-UHFFFAOYSA-N
XLogP3.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine (CID 66727342) is 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine is CC1=CC(C)CN(C(C2=CC=CCC2)C2=COC=CO2)C1.
What is the InChIKey of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is CIIAQKLRDJHHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-10-15(2)12-19(11-14)18(16-6-4-3-5-7-16)17-13-20-8-9-21-17/h3-4,6,8-10,13-14,18H,5,7,11-12H2,1-2H3.
What are the key properties of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine?
1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 285.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 66727342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).