1-benzyl-4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3,6-dihydro-2H-pyridine

C22H23NO2 — CID 67619438

IUPAC1-benzyl-4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3,6-dihydro-2H-pyridine
SMILESC1=CCCC(C2=COC(C3=CCN(Cc4ccccc4)CC3)=CO2)=C1
InChIInChI=1S/C22H23NO2/c1-3-7-18(8-4-1)15-23-13-11-20(12-14-23)22-17-24-21(16-25-22)19-9-5-2-6-10-19/h1-5,7-9,11,16-17H,6,10,12-15H2
InChIKeyWSAFXKXBFHEWBK-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.82
Rot. Bonds4

About 1-benzyl-4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3,6-dihydro-2H-pyridine

1-benzyl-4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 67619438) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-benzyl-4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID67619438
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name1-benzyl-4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3,6-dihydro-2H-pyridine
SMILESC1=CCCC(C2=COC(C3=CCN(Cc4ccccc4)CC3)=CO2)=C1
InChIInChI=1S/C22H23NO2/c1-3-7-18(8-4-1)15-23-13-11-20(12-14-23)22-17-24-21(16-25-22)19-9-5-2-6-10-19/h1-5,7-9,11,16-17H,6,10,12-15H2
InChIKeyWSAFXKXBFHEWBK-UHFFFAOYSA-N
XLogP4.82
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3,6-dihydro-2H-pyridine (CID 67619438) is 1-benzyl-4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3,6-dihydro-2H-pyridine is C1=CCCC(C2=COC(C3=CCN(Cc4ccccc4)CC3)=CO2)=C1.
What is the InChIKey of 1-benzyl-4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is WSAFXKXBFHEWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-3-7-18(8-4-1)15-23-13-11-20(12-14-23)22-17-24-21(16-25-22)19-9-5-2-6-10-19/h1-5,7-9,11,16-17H,6,10,12-15H2.
What are the key properties of 1-benzyl-4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3,6-dihydro-2H-pyridine?
1-benzyl-4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 333.43 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 67619438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).