6-[4-(2-fluorophenyl)piperazin-1-yl]-7H-purine

C15H15FN6 — CID 756707

IUPAC6-[4-(2-fluorophenyl)piperazin-1-yl]-7H-purine
SMILESFc1ccccc1N1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C15H15FN6/c16-11-3-1-2-4-12(11)21-5-7-22(8-6-21)15-13-14(18-9-17-13)19-10-20-15/h1-4,9-10H,5-8H2,(H,17,18,19,20)
InChIKeyZMJKIUCPJALXPF-UHFFFAOYSA-N
MW298.32 g/mol
LogP1.82
Rot. Bonds2

About 6-[4-(2-fluorophenyl)piperazin-1-yl]-7H-purine

6-[4-(2-fluorophenyl)piperazin-1-yl]-7H-purine (PubChem CID 756707) has the molecular formula C15H15FN6 and a molecular weight of 298.32 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)piperazin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazin-1-yl]-7H-purine
PubChem CID756707
Molecular FormulaC15H15FN6
Molecular Weight298.32 g/mol
Exact Mass298.13
IUPAC Name6-[4-(2-fluorophenyl)piperazin-1-yl]-7H-purine
SMILESFc1ccccc1N1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C15H15FN6/c16-11-3-1-2-4-12(11)21-5-7-22(8-6-21)15-13-14(18-9-17-13)19-10-20-15/h1-4,9-10H,5-8H2,(H,17,18,19,20)
InChIKeyZMJKIUCPJALXPF-UHFFFAOYSA-N
XLogP1.82
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-7H-purine?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-7H-purine (CID 756707) is 6-[4-(2-fluorophenyl)piperazin-1-yl]-7H-purine.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazin-1-yl]-7H-purine?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazin-1-yl]-7H-purine is Fc1ccccc1N1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazin-1-yl]-7H-purine?
The InChIKey is ZMJKIUCPJALXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6/c16-11-3-1-2-4-12(11)21-5-7-22(8-6-21)15-13-14(18-9-17-13)19-10-20-15/h1-4,9-10H,5-8H2,(H,17,18,19,20).
What are the key properties of 6-[4-(2-fluorophenyl)piperazin-1-yl]-7H-purine?
6-[4-(2-fluorophenyl)piperazin-1-yl]-7H-purine has a molecular weight of 298.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)piperazin-1-yl]-7H-purine is sourced from PubChem (CID 756707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).