3-(4-fluorophenyl)-5-methyl-1-(1-methylpiperidin-4-yl)indole

C21H23FN2 — CID 10426286

IUPAC3-(4-fluorophenyl)-5-methyl-1-(1-methylpiperidin-4-yl)indole
SMILESCc1ccc2c(c1)c(-c1ccc(F)cc1)cn2C1CCN(C)CC1
InChIInChI=1S/C21H23FN2/c1-15-3-8-21-19(13-15)20(16-4-6-17(22)7-5-16)14-24(21)18-9-11-23(2)12-10-18/h3-8,13-14,18H,9-12H2,1-2H3
InChIKeyUJOWBALLYUQQQK-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.02
Rot. Bonds2

About 3-(4-fluorophenyl)-5-methyl-1-(1-methylpiperidin-4-yl)indole

3-(4-fluorophenyl)-5-methyl-1-(1-methylpiperidin-4-yl)indole (PubChem CID 10426286) has the molecular formula C21H23FN2 and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-1-(1-methylpiperidin-4-yl)indole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-1-(1-methylpiperidin-4-yl)indole
PubChem CID10426286
Molecular FormulaC21H23FN2
Molecular Weight322.43 g/mol
Exact Mass322.18
IUPAC Name3-(4-fluorophenyl)-5-methyl-1-(1-methylpiperidin-4-yl)indole
SMILESCc1ccc2c(c1)c(-c1ccc(F)cc1)cn2C1CCN(C)CC1
InChIInChI=1S/C21H23FN2/c1-15-3-8-21-19(13-15)20(16-4-6-17(22)7-5-16)14-24(21)18-9-11-23(2)12-10-18/h3-8,13-14,18H,9-12H2,1-2H3
InChIKeyUJOWBALLYUQQQK-UHFFFAOYSA-N
XLogP5.02
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-1-(1-methylpiperidin-4-yl)indole?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-1-(1-methylpiperidin-4-yl)indole (CID 10426286) is 3-(4-fluorophenyl)-5-methyl-1-(1-methylpiperidin-4-yl)indole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-1-(1-methylpiperidin-4-yl)indole?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-1-(1-methylpiperidin-4-yl)indole is Cc1ccc2c(c1)c(-c1ccc(F)cc1)cn2C1CCN(C)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-1-(1-methylpiperidin-4-yl)indole?
The InChIKey is UJOWBALLYUQQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2/c1-15-3-8-21-19(13-15)20(16-4-6-17(22)7-5-16)14-24(21)18-9-11-23(2)12-10-18/h3-8,13-14,18H,9-12H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-1-(1-methylpiperidin-4-yl)indole?
3-(4-fluorophenyl)-5-methyl-1-(1-methylpiperidin-4-yl)indole has a molecular weight of 322.43 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-1-(1-methylpiperidin-4-yl)indole is sourced from PubChem (CID 10426286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).