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

C29H31FN2 — CID 10342427

IUPAC1-(4-fluorophenyl)-3-[4-(4-phenylpiperidin-1-yl)butyl]indole
SMILESFc1ccc(-n2cc(CCCCN3CCC(c4ccccc4)CC3)c3ccccc32)cc1
InChIInChI=1S/C29H31FN2/c30-26-13-15-27(16-14-26)32-22-25(28-11-4-5-12-29(28)32)10-6-7-19-31-20-17-24(18-21-31)23-8-2-1-3-9-23/h1-5,8-9,11-16,22,24H,6-7,10,17-21H2
InChIKeyGJIZPJUNZBYIDB-UHFFFAOYSA-N
MW426.58 g/mol
LogP6.97
Rot. Bonds7

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

1-(4-fluorophenyl)-3-[4-(4-phenylpiperidin-1-yl)butyl]indole (PubChem CID 10342427) has the molecular formula C29H31FN2 and a molecular weight of 426.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-(4-phenylpiperidin-1-yl)butyl]indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-(4-phenylpiperidin-1-yl)butyl]indole
PubChem CID10342427
Molecular FormulaC29H31FN2
Molecular Weight426.58 g/mol
Exact Mass426.25
IUPAC Name1-(4-fluorophenyl)-3-[4-(4-phenylpiperidin-1-yl)butyl]indole
SMILESFc1ccc(-n2cc(CCCCN3CCC(c4ccccc4)CC3)c3ccccc32)cc1
InChIInChI=1S/C29H31FN2/c30-26-13-15-27(16-14-26)32-22-25(28-11-4-5-12-29(28)32)10-6-7-19-31-20-17-24(18-21-31)23-8-2-1-3-9-23/h1-5,8-9,11-16,22,24H,6-7,10,17-21H2
InChIKeyGJIZPJUNZBYIDB-UHFFFAOYSA-N
XLogP6.97
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.58
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenylpiperidin-1-yl)butyl]indole?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-(4-phenylpiperidin-1-yl)butyl]indole (CID 10342427) is 1-(4-fluorophenyl)-3-[4-(4-phenylpiperidin-1-yl)butyl]indole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-(4-phenylpiperidin-1-yl)butyl]indole?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-(4-phenylpiperidin-1-yl)butyl]indole is Fc1ccc(-n2cc(CCCCN3CCC(c4ccccc4)CC3)c3ccccc32)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-(4-phenylpiperidin-1-yl)butyl]indole?
The InChIKey is GJIZPJUNZBYIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2/c30-26-13-15-27(16-14-26)32-22-25(28-11-4-5-12-29(28)32)10-6-7-19-31-20-17-24(18-21-31)23-8-2-1-3-9-23/h1-5,8-9,11-16,22,24H,6-7,10,17-21H2.
What are the key properties of 1-(4-fluorophenyl)-3-[4-(4-phenylpiperidin-1-yl)butyl]indole?
1-(4-fluorophenyl)-3-[4-(4-phenylpiperidin-1-yl)butyl]indole has a molecular weight of 426.58 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-(4-phenylpiperidin-1-yl)butyl]indole is sourced from PubChem (CID 10342427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).