1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole

C28H30FN3 — CID 10365227

IUPAC1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole
SMILESFc1ccc(-n2cc(CCCCN3CCN(c4ccccc4)CC3)c3ccccc32)cc1
InChIInChI=1S/C28H30FN3/c29-24-13-15-26(16-14-24)32-22-23(27-11-4-5-12-28(27)32)8-6-7-17-30-18-20-31(21-19-30)25-9-2-1-3-10-25/h1-5,9-16,22H,6-8,17-21H2
InChIKeyAPRJHJYYESZCHN-UHFFFAOYSA-N
MW427.57 g/mol
LogP5.91
Rot. Bonds7

About 1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole

1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole (PubChem CID 10365227) has the molecular formula C28H30FN3 and a molecular weight of 427.57 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole
PubChem CID10365227
Molecular FormulaC28H30FN3
Molecular Weight427.57 g/mol
Exact Mass427.24
IUPAC Name1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole
SMILESFc1ccc(-n2cc(CCCCN3CCN(c4ccccc4)CC3)c3ccccc32)cc1
InChIInChI=1S/C28H30FN3/c29-24-13-15-26(16-14-24)32-22-23(27-11-4-5-12-28(27)32)8-6-7-17-30-18-20-31(21-19-30)25-9-2-1-3-10-25/h1-5,9-16,22H,6-8,17-21H2
InChIKeyAPRJHJYYESZCHN-UHFFFAOYSA-N
XLogP5.91
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 ≤ 55.91
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-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole (CID 10365227) is 1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole is Fc1ccc(-n2cc(CCCCN3CCN(c4ccccc4)CC3)c3ccccc32)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole?
The InChIKey is APRJHJYYESZCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3/c29-24-13-15-26(16-14-24)32-22-23(27-11-4-5-12-28(27)32)8-6-7-17-30-18-20-31(21-19-30)25-9-2-1-3-10-25/h1-5,9-16,22H,6-8,17-21H2.
What are the key properties of 1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole?
1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole has a molecular weight of 427.57 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole is sourced from PubChem (CID 10365227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).