1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-phenylindole

C28H30FN3 — CID 56642430

IUPAC1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-phenylindole
SMILESFc1ccc(N2CCN(CCCCn3cc(-c4ccccc4)c4ccccc43)CC2)cc1
InChIInChI=1S/C28H30FN3/c29-24-12-14-25(15-13-24)31-20-18-30(19-21-31)16-6-7-17-32-22-27(23-8-2-1-3-9-23)26-10-4-5-11-28(26)32/h1-5,8-15,22H,6-7,16-21H2
InChIKeyZKDZDSMZQJYIGS-UHFFFAOYSA-N
MW427.57 g/mol
LogP6.05
Rot. Bonds7

About 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-phenylindole

1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-phenylindole (PubChem CID 56642430) has the molecular formula C28H30FN3 and a molecular weight of 427.57 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-phenylindole.

Molecular Properties

Compound Name1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-phenylindole
PubChem CID56642430
Molecular FormulaC28H30FN3
Molecular Weight427.57 g/mol
Exact Mass427.24
IUPAC Name1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-phenylindole
SMILESFc1ccc(N2CCN(CCCCn3cc(-c4ccccc4)c4ccccc43)CC2)cc1
InChIInChI=1S/C28H30FN3/c29-24-12-14-25(15-13-24)31-20-18-30(19-21-31)16-6-7-17-32-22-27(23-8-2-1-3-9-23)26-10-4-5-11-28(26)32/h1-5,8-15,22H,6-7,16-21H2
InChIKeyZKDZDSMZQJYIGS-UHFFFAOYSA-N
XLogP6.05
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-phenylindole?
The IUPAC name of 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-phenylindole (CID 56642430) is 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-phenylindole.
What is the SMILES notation for 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-phenylindole?
The canonical SMILES for 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-phenylindole is Fc1ccc(N2CCN(CCCCn3cc(-c4ccccc4)c4ccccc43)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-phenylindole?
The InChIKey is ZKDZDSMZQJYIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3/c29-24-12-14-25(15-13-24)31-20-18-30(19-21-31)16-6-7-17-32-22-27(23-8-2-1-3-9-23)26-10-4-5-11-28(26)32/h1-5,8-15,22H,6-7,16-21H2.
What are the key properties of 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-phenylindole?
1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-phenylindole has a molecular weight of 427.57 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-phenylindole is sourced from PubChem (CID 56642430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).