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

C22H27FN2 — CID 22038360

IUPAC1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-2,3-dihydroindole
SMILESCCN1CCC(N2CC(Cc3ccc(F)cc3)c3ccccc32)CC1
InChIInChI=1S/C22H27FN2/c1-2-24-13-11-20(12-14-24)25-16-18(21-5-3-4-6-22(21)25)15-17-7-9-19(23)10-8-17/h3-10,18,20H,2,11-16H2,1H3
InChIKeyUOFGGBQBMBGPQN-UHFFFAOYSA-N
MW338.47 g/mol
LogP4.46
Rot. Bonds4

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

1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-2,3-dihydroindole (PubChem CID 22038360) has the molecular formula C22H27FN2 and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-2,3-dihydroindole
PubChem CID22038360
Molecular FormulaC22H27FN2
Molecular Weight338.47 g/mol
Exact Mass338.22
IUPAC Name1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-2,3-dihydroindole
SMILESCCN1CCC(N2CC(Cc3ccc(F)cc3)c3ccccc32)CC1
InChIInChI=1S/C22H27FN2/c1-2-24-13-11-20(12-14-24)25-16-18(21-5-3-4-6-22(21)25)15-17-7-9-19(23)10-8-17/h3-10,18,20H,2,11-16H2,1H3
InChIKeyUOFGGBQBMBGPQN-UHFFFAOYSA-N
XLogP4.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 54.46
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)methyl]-2,3-dihydroindole?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-2,3-dihydroindole (CID 22038360) is 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-2,3-dihydroindole?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-2,3-dihydroindole is CCN1CCC(N2CC(Cc3ccc(F)cc3)c3ccccc32)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-2,3-dihydroindole?
The InChIKey is UOFGGBQBMBGPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2/c1-2-24-13-11-20(12-14-24)25-16-18(21-5-3-4-6-22(21)25)15-17-7-9-19(23)10-8-17/h3-10,18,20H,2,11-16H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-2,3-dihydroindole?
1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-2,3-dihydroindole has a molecular weight of 338.47 g/mol, XLogP of 4.46, 4 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)methyl]-2,3-dihydroindole is sourced from PubChem (CID 22038360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).