1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperazine

C21H21F2N3 — CID 14198556

IUPAC1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperazine
SMILESFc1ccc(-c2ccc(CN3CCN(c4ccc(F)cc4)CC3)[nH]2)cc1
InChIInChI=1S/C21H21F2N3/c22-17-3-1-16(2-4-17)21-10-7-19(24-21)15-25-11-13-26(14-12-25)20-8-5-18(23)6-9-20/h1-10,24H,11-15H2
InChIKeyXYUUPGPKUVPULM-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.28
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperazine

1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperazine (PubChem CID 14198556) has the molecular formula C21H21F2N3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperazine
PubChem CID14198556
Molecular FormulaC21H21F2N3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperazine
SMILESFc1ccc(-c2ccc(CN3CCN(c4ccc(F)cc4)CC3)[nH]2)cc1
InChIInChI=1S/C21H21F2N3/c22-17-3-1-16(2-4-17)21-10-7-19(24-21)15-25-11-13-26(14-12-25)20-8-5-18(23)6-9-20/h1-10,24H,11-15H2
InChIKeyXYUUPGPKUVPULM-UHFFFAOYSA-N
XLogP4.28
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperazine (CID 14198556) is 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperazine is Fc1ccc(-c2ccc(CN3CCN(c4ccc(F)cc4)CC3)[nH]2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperazine?
The InChIKey is XYUUPGPKUVPULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3/c22-17-3-1-16(2-4-17)21-10-7-19(24-21)15-25-11-13-26(14-12-25)20-8-5-18(23)6-9-20/h1-10,24H,11-15H2.
What are the key properties of 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperazine?
1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperazine has a molecular weight of 353.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrrol-2-yl]methyl]piperazine is sourced from PubChem (CID 14198556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).