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

C21H25FN2 — CID 22037956

IUPAC1-(1-ethylpiperidin-4-yl)-3-(4-fluorophenyl)-2,3-dihydroindole
SMILESCCN1CCC(N2CC(c3ccc(F)cc3)c3ccccc32)CC1
InChIInChI=1S/C21H25FN2/c1-2-23-13-11-18(12-14-23)24-15-20(16-7-9-17(22)10-8-16)19-5-3-4-6-21(19)24/h3-10,18,20H,2,11-15H2,1H3
InChIKeyRJOLPOVEQQLKDH-UHFFFAOYSA-N
MW324.44 g/mol
LogP4.26
Rot. Bonds3

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

1-(1-ethylpiperidin-4-yl)-3-(4-fluorophenyl)-2,3-dihydroindole (PubChem CID 22037956) has the molecular formula C21H25FN2 and a molecular weight of 324.44 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-3-(4-fluorophenyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-3-(4-fluorophenyl)-2,3-dihydroindole
PubChem CID22037956
Molecular FormulaC21H25FN2
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC Name1-(1-ethylpiperidin-4-yl)-3-(4-fluorophenyl)-2,3-dihydroindole
SMILESCCN1CCC(N2CC(c3ccc(F)cc3)c3ccccc32)CC1
InChIInChI=1S/C21H25FN2/c1-2-23-13-11-18(12-14-23)24-15-20(16-7-9-17(22)10-8-16)19-5-3-4-6-21(19)24/h3-10,18,20H,2,11-15H2,1H3
InChIKeyRJOLPOVEQQLKDH-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-(4-fluorophenyl)-2,3-dihydroindole?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-(4-fluorophenyl)-2,3-dihydroindole (CID 22037956) is 1-(1-ethylpiperidin-4-yl)-3-(4-fluorophenyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-3-(4-fluorophenyl)-2,3-dihydroindole?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-3-(4-fluorophenyl)-2,3-dihydroindole is CCN1CCC(N2CC(c3ccc(F)cc3)c3ccccc32)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-3-(4-fluorophenyl)-2,3-dihydroindole?
The InChIKey is RJOLPOVEQQLKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2/c1-2-23-13-11-18(12-14-23)24-15-20(16-7-9-17(22)10-8-16)19-5-3-4-6-21(19)24/h3-10,18,20H,2,11-15H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-3-(4-fluorophenyl)-2,3-dihydroindole?
1-(1-ethylpiperidin-4-yl)-3-(4-fluorophenyl)-2,3-dihydroindole has a molecular weight of 324.44 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-3-(4-fluorophenyl)-2,3-dihydroindole is sourced from PubChem (CID 22037956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).