1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine

C22H22FN3 — CID 21186124

IUPAC1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine
SMILESFc1ccc(-c2cncc(CN3CCN(c4ccccc4)CC3)c2)cc1
InChIInChI=1S/C22H22FN3/c23-21-8-6-19(7-9-21)20-14-18(15-24-16-20)17-25-10-12-26(13-11-25)22-4-2-1-3-5-22/h1-9,14-16H,10-13,17H2
InChIKeyOCWWFSWSVBBJST-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.21
Rot. Bonds4

About 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine

1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine (PubChem CID 21186124) has the molecular formula C22H22FN3 and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine
PubChem CID21186124
Molecular FormulaC22H22FN3
Molecular Weight347.44 g/mol
Exact Mass347.18
IUPAC Name1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine
SMILESFc1ccc(-c2cncc(CN3CCN(c4ccccc4)CC3)c2)cc1
InChIInChI=1S/C22H22FN3/c23-21-8-6-19(7-9-21)20-14-18(15-24-16-20)17-25-10-12-26(13-11-25)22-4-2-1-3-5-22/h1-9,14-16H,10-13,17H2
InChIKeyOCWWFSWSVBBJST-UHFFFAOYSA-N
XLogP4.21
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine (CID 21186124) is 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine is Fc1ccc(-c2cncc(CN3CCN(c4ccccc4)CC3)c2)cc1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine?
The InChIKey is OCWWFSWSVBBJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3/c23-21-8-6-19(7-9-21)20-14-18(15-24-16-20)17-25-10-12-26(13-11-25)22-4-2-1-3-5-22/h1-9,14-16H,10-13,17H2.
What are the key properties of 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine?
1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine has a molecular weight of 347.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 21186124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).