1-(1-ethylpiperidin-2-yl)-4-(4-fluorophenyl)-2,3-dihydroindole

C21H25FN2 — CID 54415754

IUPAC1-(1-ethylpiperidin-2-yl)-4-(4-fluorophenyl)-2,3-dihydroindole
SMILESCCN1CCCCC1N1CCc2c(-c3ccc(F)cc3)cccc21
InChIInChI=1S/C21H25FN2/c1-2-23-14-4-3-8-21(23)24-15-13-19-18(6-5-7-20(19)24)16-9-11-17(22)12-10-16/h5-7,9-12,21H,2-4,8,13-15H2,1H3
InChIKeyVXHCXZYAOVONPV-UHFFFAOYSA-N
MW324.44 g/mol
LogP4.69
Rot. Bonds3

About 1-(1-ethylpiperidin-2-yl)-4-(4-fluorophenyl)-2,3-dihydroindole

1-(1-ethylpiperidin-2-yl)-4-(4-fluorophenyl)-2,3-dihydroindole (PubChem CID 54415754) has the molecular formula C21H25FN2 and a molecular weight of 324.44 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-2-yl)-4-(4-fluorophenyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1-ethylpiperidin-2-yl)-4-(4-fluorophenyl)-2,3-dihydroindole
PubChem CID54415754
Molecular FormulaC21H25FN2
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC Name1-(1-ethylpiperidin-2-yl)-4-(4-fluorophenyl)-2,3-dihydroindole
SMILESCCN1CCCCC1N1CCc2c(-c3ccc(F)cc3)cccc21
InChIInChI=1S/C21H25FN2/c1-2-23-14-4-3-8-21(23)24-15-13-19-18(6-5-7-20(19)24)16-9-11-17(22)12-10-16/h5-7,9-12,21H,2-4,8,13-15H2,1H3
InChIKeyVXHCXZYAOVONPV-UHFFFAOYSA-N
XLogP4.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-ethylpiperidin-2-yl)-4-(4-fluorophenyl)-2,3-dihydroindole 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-ethylpiperidin-2-yl)-4-(4-fluorophenyl)-2,3-dihydroindole?
The IUPAC name of 1-(1-ethylpiperidin-2-yl)-4-(4-fluorophenyl)-2,3-dihydroindole (CID 54415754) is 1-(1-ethylpiperidin-2-yl)-4-(4-fluorophenyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(1-ethylpiperidin-2-yl)-4-(4-fluorophenyl)-2,3-dihydroindole?
The canonical SMILES for 1-(1-ethylpiperidin-2-yl)-4-(4-fluorophenyl)-2,3-dihydroindole is CCN1CCCCC1N1CCc2c(-c3ccc(F)cc3)cccc21.
What is the InChIKey of 1-(1-ethylpiperidin-2-yl)-4-(4-fluorophenyl)-2,3-dihydroindole?
The InChIKey is VXHCXZYAOVONPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2/c1-2-23-14-4-3-8-21(23)24-15-13-19-18(6-5-7-20(19)24)16-9-11-17(22)12-10-16/h5-7,9-12,21H,2-4,8,13-15H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-2-yl)-4-(4-fluorophenyl)-2,3-dihydroindole?
1-(1-ethylpiperidin-2-yl)-4-(4-fluorophenyl)-2,3-dihydroindole has a molecular weight of 324.44 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-2-yl)-4-(4-fluorophenyl)-2,3-dihydroindole is sourced from PubChem (CID 54415754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).