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

C20H22FN3 — CID 10245637

IUPAC3-(4-fluorophenyl)-5-methyl-1-(4-methylpiperazin-1-yl)indole
SMILESCc1ccc2c(c1)c(-c1ccc(F)cc1)cn2N1CCN(C)CC1
InChIInChI=1S/C20H22FN3/c1-15-3-8-20-18(13-15)19(16-4-6-17(21)7-5-16)14-24(20)23-11-9-22(2)10-12-23/h3-8,13-14H,9-12H2,1-2H3
InChIKeyDEZIQNCPVPFWEE-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.64
Rot. Bonds2

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

3-(4-fluorophenyl)-5-methyl-1-(4-methylpiperazin-1-yl)indole (PubChem CID 10245637) has the molecular formula C20H22FN3 and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-1-(4-methylpiperazin-1-yl)indole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-1-(4-methylpiperazin-1-yl)indole
PubChem CID10245637
Molecular FormulaC20H22FN3
Molecular Weight323.42 g/mol
Exact Mass323.18
IUPAC Name3-(4-fluorophenyl)-5-methyl-1-(4-methylpiperazin-1-yl)indole
SMILESCc1ccc2c(c1)c(-c1ccc(F)cc1)cn2N1CCN(C)CC1
InChIInChI=1S/C20H22FN3/c1-15-3-8-20-18(13-15)19(16-4-6-17(21)7-5-16)14-24(20)23-11-9-22(2)10-12-23/h3-8,13-14H,9-12H2,1-2H3
InChIKeyDEZIQNCPVPFWEE-UHFFFAOYSA-N
XLogP3.64
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-1-(4-methylpiperazin-1-yl)indole?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-1-(4-methylpiperazin-1-yl)indole (CID 10245637) is 3-(4-fluorophenyl)-5-methyl-1-(4-methylpiperazin-1-yl)indole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-1-(4-methylpiperazin-1-yl)indole?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-1-(4-methylpiperazin-1-yl)indole is Cc1ccc2c(c1)c(-c1ccc(F)cc1)cn2N1CCN(C)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-1-(4-methylpiperazin-1-yl)indole?
The InChIKey is DEZIQNCPVPFWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3/c1-15-3-8-20-18(13-15)19(16-4-6-17(21)7-5-16)14-24(20)23-11-9-22(2)10-12-23/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-1-(4-methylpiperazin-1-yl)indole?
3-(4-fluorophenyl)-5-methyl-1-(4-methylpiperazin-1-yl)indole has a molecular weight of 323.42 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-1-(4-methylpiperazin-1-yl)indole is sourced from PubChem (CID 10245637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).