2-(4-benzylpiperazin-1-yl)-5-methylpyrazine

C16H20N4 — CID 67976848

IUPAC2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
SMILESCc1cnc(N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C16H20N4/c1-14-11-18-16(12-17-14)20-9-7-19(8-10-20)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3
InChIKeyBOGSELOHOITGKQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.11
Rot. Bonds3

About 2-(4-benzylpiperazin-1-yl)-5-methylpyrazine

2-(4-benzylpiperazin-1-yl)-5-methylpyrazine (PubChem CID 67976848) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-5-methylpyrazine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
PubChem CID67976848
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
SMILESCc1cnc(N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C16H20N4/c1-14-11-18-16(12-17-14)20-9-7-19(8-10-20)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3
InChIKeyBOGSELOHOITGKQ-UHFFFAOYSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[5-(bromomethyl)-2-pyridinyl]piperazine
CID 107079127
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278450
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278104
azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109285483
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272774
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 146074650
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109285489

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-5-methylpyrazine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-5-methylpyrazine (CID 67976848) is 2-(4-benzylpiperazin-1-yl)-5-methylpyrazine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-5-methylpyrazine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-5-methylpyrazine is Cc1cnc(N2CCN(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-5-methylpyrazine?
The InChIKey is BOGSELOHOITGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-14-11-18-16(12-17-14)20-9-7-19(8-10-20)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-5-methylpyrazine?
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine has a molecular weight of 268.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-5-methylpyrazine is sourced from PubChem (CID 67976848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).