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

C15H17FN4 — CID 763417

IUPAC2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
SMILESFc1cccc(CN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C15H17FN4/c16-14-4-1-3-13(11-14)12-19-7-9-20(10-8-19)15-17-5-2-6-18-15/h1-6,11H,7-10,12H2
InChIKeyDDFZWZOMOJAGID-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.94
Rot. Bonds3

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

2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 763417) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID763417
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
SMILESFc1cccc(CN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C15H17FN4/c16-14-4-1-3-13(11-14)12-19-7-9-20(10-8-19)15-17-5-2-6-18-15/h1-6,11H,7-10,12H2
InChIKeyDDFZWZOMOJAGID-UHFFFAOYSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidine (CID 763417) is 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidine is Fc1cccc(CN2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is DDFZWZOMOJAGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c16-14-4-1-3-13(11-14)12-19-7-9-20(10-8-19)15-17-5-2-6-18-15/h1-6,11H,7-10,12H2.
What are the key properties of 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 272.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 763417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).