2-[4-(4-fluorophenyl)piperazin-1-yl]benzo[cd]indole

C21H18FN3 — CID 2328848

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]benzo[cd]indole
SMILESFc1ccc(N2CCN(C3=Nc4cccc5cccc3c45)CC2)cc1
InChIInChI=1S/C21H18FN3/c22-16-7-9-17(10-8-16)24-11-13-25(14-12-24)21-18-5-1-3-15-4-2-6-19(23-21)20(15)18/h1-10H,11-14H2
InChIKeyMGNBEMVWJYOMTH-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.19
Rot. Bonds1

About 2-[4-(4-fluorophenyl)piperazin-1-yl]benzo[cd]indole

2-[4-(4-fluorophenyl)piperazin-1-yl]benzo[cd]indole (PubChem CID 2328848) has the molecular formula C21H18FN3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]benzo[cd]indole.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]benzo[cd]indole
PubChem CID2328848
Molecular FormulaC21H18FN3
Molecular Weight331.39 g/mol
Exact Mass331.15
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]benzo[cd]indole
SMILESFc1ccc(N2CCN(C3=Nc4cccc5cccc3c45)CC2)cc1
InChIInChI=1S/C21H18FN3/c22-16-7-9-17(10-8-16)24-11-13-25(14-12-24)21-18-5-1-3-15-4-2-6-19(23-21)20(15)18/h1-10H,11-14H2
InChIKeyMGNBEMVWJYOMTH-UHFFFAOYSA-N
XLogP4.19
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]benzo[cd]indole?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]benzo[cd]indole (CID 2328848) is 2-[4-(4-fluorophenyl)piperazin-1-yl]benzo[cd]indole.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]benzo[cd]indole?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]benzo[cd]indole is Fc1ccc(N2CCN(C3=Nc4cccc5cccc3c45)CC2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]benzo[cd]indole?
The InChIKey is MGNBEMVWJYOMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3/c22-16-7-9-17(10-8-16)24-11-13-25(14-12-24)21-18-5-1-3-15-4-2-6-19(23-21)20(15)18/h1-10H,11-14H2.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]benzo[cd]indole?
2-[4-(4-fluorophenyl)piperazin-1-yl]benzo[cd]indole has a molecular weight of 331.39 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]benzo[cd]indole is sourced from PubChem (CID 2328848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).