1-benzyl-2-[3-(4-fluorophenyl)oxan-4-yl]-3,6-dihydro-2H-pyridine

C23H26FNO — CID 142667128

IUPAC1-benzyl-2-[3-(4-fluorophenyl)oxan-4-yl]-3,6-dihydro-2H-pyridine
SMILESFc1ccc(C2COCCC2C2CC=CCN2Cc2ccccc2)cc1
InChIInChI=1S/C23H26FNO/c24-20-11-9-19(10-12-20)22-17-26-15-13-21(22)23-8-4-5-14-25(23)16-18-6-2-1-3-7-18/h1-7,9-12,21-23H,8,13-17H2
InChIKeyKGECGPOXUCVJGW-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.78
Rot. Bonds4

About 1-benzyl-2-[3-(4-fluorophenyl)oxan-4-yl]-3,6-dihydro-2H-pyridine

1-benzyl-2-[3-(4-fluorophenyl)oxan-4-yl]-3,6-dihydro-2H-pyridine (PubChem CID 142667128) has the molecular formula C23H26FNO and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-benzyl-2-[3-(4-fluorophenyl)oxan-4-yl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-2-[3-(4-fluorophenyl)oxan-4-yl]-3,6-dihydro-2H-pyridine
PubChem CID142667128
Molecular FormulaC23H26FNO
Molecular Weight351.47 g/mol
Exact Mass351.20
IUPAC Name1-benzyl-2-[3-(4-fluorophenyl)oxan-4-yl]-3,6-dihydro-2H-pyridine
SMILESFc1ccc(C2COCCC2C2CC=CCN2Cc2ccccc2)cc1
InChIInChI=1S/C23H26FNO/c24-20-11-9-19(10-12-20)22-17-26-15-13-21(22)23-8-4-5-14-25(23)16-18-6-2-1-3-7-18/h1-7,9-12,21-23H,8,13-17H2
InChIKeyKGECGPOXUCVJGW-UHFFFAOYSA-N
XLogP4.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-2-[3-(4-fluorophenyl)oxan-4-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-2-[3-(4-fluorophenyl)oxan-4-yl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-2-[3-(4-fluorophenyl)oxan-4-yl]-3,6-dihydro-2H-pyridine (CID 142667128) is 1-benzyl-2-[3-(4-fluorophenyl)oxan-4-yl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-2-[3-(4-fluorophenyl)oxan-4-yl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-2-[3-(4-fluorophenyl)oxan-4-yl]-3,6-dihydro-2H-pyridine is Fc1ccc(C2COCCC2C2CC=CCN2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-[3-(4-fluorophenyl)oxan-4-yl]-3,6-dihydro-2H-pyridine?
The InChIKey is KGECGPOXUCVJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO/c24-20-11-9-19(10-12-20)22-17-26-15-13-21(22)23-8-4-5-14-25(23)16-18-6-2-1-3-7-18/h1-7,9-12,21-23H,8,13-17H2.
What are the key properties of 1-benzyl-2-[3-(4-fluorophenyl)oxan-4-yl]-3,6-dihydro-2H-pyridine?
1-benzyl-2-[3-(4-fluorophenyl)oxan-4-yl]-3,6-dihydro-2H-pyridine has a molecular weight of 351.47 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[3-(4-fluorophenyl)oxan-4-yl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 142667128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).