4-benzyl-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)piperidine

C20H22FNO — CID 20701141

IUPAC4-benzyl-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)piperidine
SMILESFc1cc2c(c(N3CCC(Cc4ccccc4)CC3)c1)OCC2
InChIInChI=1S/C20H22FNO/c21-18-13-17-8-11-23-20(17)19(14-18)22-9-6-16(7-10-22)12-15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2
InChIKeyZYCFELHQRNXQEJ-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.22
Rot. Bonds3

About 4-benzyl-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)piperidine

4-benzyl-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)piperidine (PubChem CID 20701141) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is 4-benzyl-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)piperidine
PubChem CID20701141
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name4-benzyl-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)piperidine
SMILESFc1cc2c(c(N3CCC(Cc4ccccc4)CC3)c1)OCC2
InChIInChI=1S/C20H22FNO/c21-18-13-17-8-11-23-20(17)19(14-18)22-9-6-16(7-10-22)12-15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2
InChIKeyZYCFELHQRNXQEJ-UHFFFAOYSA-N
XLogP4.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)piperidine 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 4-benzyl-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)piperidine?
The IUPAC name of 4-benzyl-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)piperidine (CID 20701141) is 4-benzyl-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)piperidine.
What is the SMILES notation for 4-benzyl-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)piperidine?
The canonical SMILES for 4-benzyl-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)piperidine is Fc1cc2c(c(N3CCC(Cc4ccccc4)CC3)c1)OCC2.
What is the InChIKey of 4-benzyl-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)piperidine?
The InChIKey is ZYCFELHQRNXQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO/c21-18-13-17-8-11-23-20(17)19(14-18)22-9-6-16(7-10-22)12-15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2.
What are the key properties of 4-benzyl-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)piperidine?
4-benzyl-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)piperidine has a molecular weight of 311.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)piperidine is sourced from PubChem (CID 20701141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).