1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine

C22H26FNO — CID 134242856

IUPAC1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine
SMILESCC(C1CCc2ccccc21)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FNO/c1-16(21-11-6-17-4-2-3-5-22(17)21)24-14-12-20(13-15-24)25-19-9-7-18(23)8-10-19/h2-5,7-10,16,20-21H,6,11-15H2,1H3
InChIKeyJAMOXUZBQATMMI-UHFFFAOYSA-N
MW339.45 g/mol
LogP4.79
Rot. Bonds4

About 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine

1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine (PubChem CID 134242856) has the molecular formula C22H26FNO and a molecular weight of 339.45 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine
PubChem CID134242856
Molecular FormulaC22H26FNO
Molecular Weight339.45 g/mol
Exact Mass339.20
IUPAC Name1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine
SMILESCC(C1CCc2ccccc21)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FNO/c1-16(21-11-6-17-4-2-3-5-22(17)21)24-14-12-20(13-15-24)25-19-9-7-18(23)8-10-19/h2-5,7-10,16,20-21H,6,11-15H2,1H3
InChIKeyJAMOXUZBQATMMI-UHFFFAOYSA-N
XLogP4.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)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 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine?
The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine (CID 134242856) is 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine is CC(C1CCc2ccccc21)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine?
The InChIKey is JAMOXUZBQATMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO/c1-16(21-11-6-17-4-2-3-5-22(17)21)24-14-12-20(13-15-24)25-19-9-7-18(23)8-10-19/h2-5,7-10,16,20-21H,6,11-15H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine?
1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine has a molecular weight of 339.45 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine is sourced from PubChem (CID 134242856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).