1-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine

C20H21FN4 — CID 10042641

IUPAC1-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine
SMILESCn1cc(-c2ccc(F)cc2)c(-c2ccncc2)c1N1CCNCC1
InChIInChI=1S/C20H21FN4/c1-24-14-18(15-2-4-17(21)5-3-15)19(16-6-8-22-9-7-16)20(24)25-12-10-23-11-13-25/h2-9,14,23H,10-13H2,1H3
InChIKeyOPQNJTWGRFOGNX-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.30
Rot. Bonds3

About 1-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine

1-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine (PubChem CID 10042641) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine
PubChem CID10042641
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name1-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine
SMILESCn1cc(-c2ccc(F)cc2)c(-c2ccncc2)c1N1CCNCC1
InChIInChI=1S/C20H21FN4/c1-24-14-18(15-2-4-17(21)5-3-15)19(16-6-8-22-9-7-16)20(24)25-12-10-23-11-13-25/h2-9,14,23H,10-13H2,1H3
InChIKeyOPQNJTWGRFOGNX-UHFFFAOYSA-N
XLogP3.30
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine?
The IUPAC name of 1-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine (CID 10042641) is 1-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine?
The canonical SMILES for 1-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine is Cn1cc(-c2ccc(F)cc2)c(-c2ccncc2)c1N1CCNCC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine?
The InChIKey is OPQNJTWGRFOGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c1-24-14-18(15-2-4-17(21)5-3-15)19(16-6-8-22-9-7-16)20(24)25-12-10-23-11-13-25/h2-9,14,23H,10-13H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine?
1-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine has a molecular weight of 336.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine is sourced from PubChem (CID 10042641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).