1-[1-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]pyrrol-2-yl]-4-methylpiperazine

C23H26FN3 — CID 16728519

IUPAC1-[1-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]pyrrol-2-yl]-4-methylpiperazine
SMILESCc1ccccc1Cc1cc(N2CCN(C)CC2)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H26FN3/c1-18-5-3-4-6-20(18)15-19-16-23(26-13-11-25(2)12-14-26)27(17-19)22-9-7-21(24)8-10-22/h3-10,16-17H,11-15H2,1-2H3
InChIKeyBPOSEDKNEDOSDE-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.27
Rot. Bonds4

About 1-[1-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]pyrrol-2-yl]-4-methylpiperazine

1-[1-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]pyrrol-2-yl]-4-methylpiperazine (PubChem CID 16728519) has the molecular formula C23H26FN3 and a molecular weight of 363.48 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]pyrrol-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]pyrrol-2-yl]-4-methylpiperazine
PubChem CID16728519
Molecular FormulaC23H26FN3
Molecular Weight363.48 g/mol
Exact Mass363.21
IUPAC Name1-[1-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]pyrrol-2-yl]-4-methylpiperazine
SMILESCc1ccccc1Cc1cc(N2CCN(C)CC2)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H26FN3/c1-18-5-3-4-6-20(18)15-19-16-23(26-13-11-25(2)12-14-26)27(17-19)22-9-7-21(24)8-10-22/h3-10,16-17H,11-15H2,1-2H3
InChIKeyBPOSEDKNEDOSDE-UHFFFAOYSA-N
XLogP4.27
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
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SB-216995
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(-)-Mirtazapine
CID 3085219
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
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3,7-Diphenylimidazo[1,2-a]pyridine
CID 5329339
3-(1-Pyridin-2-yl-1H-pyrrol-3-yl)-benzonitrile
CID 10131083
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CID 45103808

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]pyrrol-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]pyrrol-2-yl]-4-methylpiperazine (CID 16728519) is 1-[1-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]pyrrol-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]pyrrol-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]pyrrol-2-yl]-4-methylpiperazine is Cc1ccccc1Cc1cc(N2CCN(C)CC2)n(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]pyrrol-2-yl]-4-methylpiperazine?
The InChIKey is BPOSEDKNEDOSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3/c1-18-5-3-4-6-20(18)15-19-16-23(26-13-11-25(2)12-14-26)27(17-19)22-9-7-21(24)8-10-22/h3-10,16-17H,11-15H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]pyrrol-2-yl]-4-methylpiperazine?
1-[1-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]pyrrol-2-yl]-4-methylpiperazine has a molecular weight of 363.48 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]pyrrol-2-yl]-4-methylpiperazine is sourced from PubChem (CID 16728519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).