1-[[1-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine

C32H36FN5 — CID 155930434

IUPAC1-[[1-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine
SMILESFc1ccc(-n2c(CN3CCN(c4ccccc4)CC3)ccc2CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C32H36FN5/c33-27-11-13-30(14-12-27)38-31(25-34-17-21-36(22-18-34)28-7-3-1-4-8-28)15-16-32(38)26-35-19-23-37(24-20-35)29-9-5-2-6-10-29/h1-16H,17-26H2
InChIKeyWUPYSBSGIOLFKB-UHFFFAOYSA-N
MW509.67 g/mol
LogP5.26
Rot. Bonds7

About 1-[[1-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine

1-[[1-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine (PubChem CID 155930434) has the molecular formula C32H36FN5 and a molecular weight of 509.67 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine
PubChem CID155930434
Molecular FormulaC32H36FN5
Molecular Weight509.67 g/mol
Exact Mass509.30
IUPAC Name1-[[1-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine
SMILESFc1ccc(-n2c(CN3CCN(c4ccccc4)CC3)ccc2CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C32H36FN5/c33-27-11-13-30(14-12-27)38-31(25-34-17-21-36(22-18-34)28-7-3-1-4-8-28)15-16-32(38)26-35-19-23-37(24-20-35)29-9-5-2-6-10-29/h1-16H,17-26H2
InChIKeyWUPYSBSGIOLFKB-UHFFFAOYSA-N
XLogP5.26
TPSA17.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.67
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 1-[[1-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[[1-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine (CID 155930434) is 1-[[1-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine is Fc1ccc(-n2c(CN3CCN(c4ccccc4)CC3)ccc2CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine?
The InChIKey is WUPYSBSGIOLFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN5/c33-27-11-13-30(14-12-27)38-31(25-34-17-21-36(22-18-34)28-7-3-1-4-8-28)15-16-32(38)26-35-19-23-37(24-20-35)29-9-5-2-6-10-29/h1-16H,17-26H2.
What are the key properties of 1-[[1-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine?
1-[[1-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine has a molecular weight of 509.67 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]pyrrol-2-yl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 155930434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).