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

C20H21FN4 — CID 59988445

IUPAC1-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl]piperazine
SMILESFc1ccc(-c2c[nH]c(CN3CCNCC3)c2-c2ccncc2)cc1
InChIInChI=1S/C20H21FN4/c21-17-3-1-15(2-4-17)18-13-24-19(14-25-11-9-23-10-12-25)20(18)16-5-7-22-8-6-16/h1-8,13,23-24H,9-12,14H2
InChIKeySHNVPRJUCIKAKP-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.29
Rot. Bonds4

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

1-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl]piperazine (PubChem CID 59988445) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl]piperazine
PubChem CID59988445
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name1-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl]piperazine
SMILESFc1ccc(-c2c[nH]c(CN3CCNCC3)c2-c2ccncc2)cc1
InChIInChI=1S/C20H21FN4/c21-17-3-1-15(2-4-17)18-13-24-19(14-25-11-9-23-10-12-25)20(18)16-5-7-22-8-6-16/h1-8,13,23-24H,9-12,14H2
InChIKeySHNVPRJUCIKAKP-UHFFFAOYSA-N
XLogP3.29
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl]piperazine?
The IUPAC name of 1-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl]piperazine (CID 59988445) is 1-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl]piperazine?
The canonical SMILES for 1-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl]piperazine is Fc1ccc(-c2c[nH]c(CN3CCNCC3)c2-c2ccncc2)cc1.
What is the InChIKey of 1-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl]piperazine?
The InChIKey is SHNVPRJUCIKAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c21-17-3-1-15(2-4-17)18-13-24-19(14-25-11-9-23-10-12-25)20(18)16-5-7-22-8-6-16/h1-8,13,23-24H,9-12,14H2.
What are the key properties of 1-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl]piperazine?
1-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl]piperazine has a molecular weight of 336.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl]piperazine is sourced from PubChem (CID 59988445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).