2-[4-[[3-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]pyrimidine

C21H21FN4 — CID 21186186

IUPAC2-[4-[[3-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]pyrimidine
SMILESFc1ccc(-c2cccc(CN3CCN(c4ncccn4)CC3)c2)cc1
InChIInChI=1S/C21H21FN4/c22-20-7-5-18(6-8-20)19-4-1-3-17(15-19)16-25-11-13-26(14-12-25)21-23-9-2-10-24-21/h1-10,15H,11-14,16H2
InChIKeyGVYUEZFLXAHJAB-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.60
Rot. Bonds4

About 2-[4-[[3-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]pyrimidine

2-[4-[[3-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]pyrimidine (PubChem CID 21186186) has the molecular formula C21H21FN4 and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[4-[[3-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[[3-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]pyrimidine
PubChem CID21186186
Molecular FormulaC21H21FN4
Molecular Weight348.43 g/mol
Exact Mass348.18
IUPAC Name2-[4-[[3-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]pyrimidine
SMILESFc1ccc(-c2cccc(CN3CCN(c4ncccn4)CC3)c2)cc1
InChIInChI=1S/C21H21FN4/c22-20-7-5-18(6-8-20)19-4-1-3-17(15-19)16-25-11-13-26(14-12-25)21-23-9-2-10-24-21/h1-10,15H,11-14,16H2
InChIKeyGVYUEZFLXAHJAB-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 2-[4-[[3-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[[3-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]pyrimidine (CID 21186186) is 2-[4-[[3-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[[3-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[[3-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]pyrimidine is Fc1ccc(-c2cccc(CN3CCN(c4ncccn4)CC3)c2)cc1.
What is the InChIKey of 2-[4-[[3-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]pyrimidine?
The InChIKey is GVYUEZFLXAHJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4/c22-20-7-5-18(6-8-20)19-4-1-3-17(15-19)16-25-11-13-26(14-12-25)21-23-9-2-10-24-21/h1-10,15H,11-14,16H2.
What are the key properties of 2-[4-[[3-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]pyrimidine?
2-[4-[[3-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]pyrimidine 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 2-[4-[[3-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 21186186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).