2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine

C17H20FN5 — CID 126892909

IUPAC2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine
SMILESFc1ccc(N2CCN(C3CN(c4cnccn4)C3)CC2)cc1
InChIInChI=1S/C17H20FN5/c18-14-1-3-15(4-2-14)21-7-9-22(10-8-21)16-12-23(13-16)17-11-19-5-6-20-17/h1-6,11,16H,7-10,12-13H2
InChIKeyKTIDYISIVYGKKN-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.63
Rot. Bonds3

About 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine

2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine (PubChem CID 126892909) has the molecular formula C17H20FN5 and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine
PubChem CID126892909
Molecular FormulaC17H20FN5
Molecular Weight313.38 g/mol
Exact Mass313.17
IUPAC Name2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine
SMILESFc1ccc(N2CCN(C3CN(c4cnccn4)C3)CC2)cc1
InChIInChI=1S/C17H20FN5/c18-14-1-3-15(4-2-14)21-7-9-22(10-8-21)16-12-23(13-16)17-11-19-5-6-20-17/h1-6,11,16H,7-10,12-13H2
InChIKeyKTIDYISIVYGKKN-UHFFFAOYSA-N
XLogP1.63
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine
CID 126892915
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine
CID 126892964
4-(4-pyrazin-2-ylpiperazin-1-yl)phenol
CID 4795412
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine
CID 126892916
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126892911
2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 121183729
2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazine
CID 4780942
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]phthalazine
CID 126892995
2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrazine
CID 133315581
2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 126893085
5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 126893073
3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane
CID 151913625

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine?
The IUPAC name of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine (CID 126892909) is 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine.
What is the SMILES notation for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine?
The canonical SMILES for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine is Fc1ccc(N2CCN(C3CN(c4cnccn4)C3)CC2)cc1.
What is the InChIKey of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine?
The InChIKey is KTIDYISIVYGKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5/c18-14-1-3-15(4-2-14)21-7-9-22(10-8-21)16-12-23(13-16)17-11-19-5-6-20-17/h1-6,11,16H,7-10,12-13H2.
What are the key properties of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine?
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine has a molecular weight of 313.38 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine is sourced from PubChem (CID 126892909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).