1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine

C21H21FN4 — CID 21186138

IUPAC1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine
SMILESFc1ccc(-c2cncc(CN3CCN(c4ccccn4)CC3)c2)cc1
InChIInChI=1S/C21H21FN4/c22-20-6-4-18(5-7-20)19-13-17(14-23-15-19)16-25-9-11-26(12-10-25)21-3-1-2-8-24-21/h1-8,13-15H,9-12,16H2
InChIKeyWCHWFNCOZFCZSO-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.60
Rot. Bonds4

About 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine

1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine (PubChem CID 21186138) has the molecular formula C21H21FN4 and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine
PubChem CID21186138
Molecular FormulaC21H21FN4
Molecular Weight348.43 g/mol
Exact Mass348.18
IUPAC Name1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine
SMILESFc1ccc(-c2cncc(CN3CCN(c4ccccn4)CC3)c2)cc1
InChIInChI=1S/C21H21FN4/c22-20-6-4-18(5-7-20)19-13-17(14-23-15-19)16-25-9-11-26(12-10-25)21-3-1-2-8-24-21/h1-8,13-15H,9-12,16H2
InChIKeyWCHWFNCOZFCZSO-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine (CID 21186138) is 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine is Fc1ccc(-c2cncc(CN3CCN(c4ccccn4)CC3)c2)cc1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is WCHWFNCOZFCZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4/c22-20-6-4-18(5-7-20)19-13-17(14-23-15-19)16-25-9-11-26(12-10-25)21-3-1-2-8-24-21/h1-8,13-15H,9-12,16H2.
What are the key properties of 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine?
1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 348.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 21186138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).