3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine

C14H24N4 — CID 59776855

IUPAC3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H24N4/c1-11-10-15-12(2)13(16-11)17-6-8-18(9-7-17)14(3,4)5/h10H,6-9H2,1-5H3
InChIKeyZGWUIEDTAYWXOQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.01
Rot. Bonds1

About 3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine

3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine (PubChem CID 59776855) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine
PubChem CID59776855
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H24N4/c1-11-10-15-12(2)13(16-11)17-6-8-18(9-7-17)14(3,4)5/h10H,6-9H2,1-5H3
InChIKeyZGWUIEDTAYWXOQ-UHFFFAOYSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine?
The IUPAC name of 3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine (CID 59776855) is 3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine.
What is the SMILES notation for 3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine?
The canonical SMILES for 3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine is Cc1cnc(C)c(N2CCN(C(C)(C)C)CC2)n1.
What is the InChIKey of 3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine?
The InChIKey is ZGWUIEDTAYWXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11-10-15-12(2)13(16-11)17-6-8-18(9-7-17)14(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine?
3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine has a molecular weight of 248.37 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine is sourced from PubChem (CID 59776855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).