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

C28H30FN3 — CID 11407673

IUPAC1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole
SMILES[18F]c1ccc(-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/i29-1
InChIKeyAPRJHJYYESZCHN-GBHUPVCCSA-N
MW426.57 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 11407673) has the molecular formula C28H30FN3 and a molecular weight of 426.57 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 CID11407673
Molecular FormulaC28H30FN3
Molecular Weight426.57 g/mol
Exact Mass426.24
IUPAC Name1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole
SMILES[18F]c1ccc(-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/i29-1
InChIKeyAPRJHJYYESZCHN-GBHUPVCCSA-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 ≤ 500426.57
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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Related Compounds

[1-(4-fluorophenyl)indol-3-yl]methanamine
CID 134714805
3-[1-(4-fluorophenyl)indol-3-yl]propyl methanesulfonate
CID 10315672
1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole
CID 56640868
1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864377
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline
CID 13217691
bis(3-[4-[4-[1-(4-fluorophenyl)indol-3-yl]piperazin-1-yl]butyl]-2,5,5-trimethyl-1,3-thiazolidin-4-one);hydrate;tetrahydrochloride
CID 173285958
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-methylquinoxalin-2-one
CID 139617104
1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine
CID 154133868
1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 102058215
1-[4-(4-fluorophenyl)butyl]-4-pyridin-3-ylpiperazine
CID 162653993
4-[1-(4-fluorophenyl)indol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine
CID 118720769

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 11407673) 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 [18F]c1ccc(-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-GBHUPVCCSA-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/i29-1.
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 426.57 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 11407673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).