2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine

C15H26N4 — CID 64936642

IUPAC2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine
SMILESCCC(C)C1CN(Cc2cnc(C)cn2)C(C)CN1
InChIInChI=1S/C15H26N4/c1-5-11(2)15-10-19(13(4)7-18-15)9-14-8-16-12(3)6-17-14/h6,8,11,13,15,18H,5,7,9-10H2,1-4H3
InChIKeyRQRHGSXFRIUNIA-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.99
Rot. Bonds4

About 2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine

2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine (PubChem CID 64936642) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine
PubChem CID64936642
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine
SMILESCCC(C)C1CN(Cc2cnc(C)cn2)C(C)CN1
InChIInChI=1S/C15H26N4/c1-5-11(2)15-10-19(13(4)7-18-15)9-14-8-16-12(3)6-17-14/h6,8,11,13,15,18H,5,7,9-10H2,1-4H3
InChIKeyRQRHGSXFRIUNIA-UHFFFAOYSA-N
XLogP1.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine?
The IUPAC name of 2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine (CID 64936642) is 2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine.
What is the SMILES notation for 2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine?
The canonical SMILES for 2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine is CCC(C)C1CN(Cc2cnc(C)cn2)C(C)CN1.
What is the InChIKey of 2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine?
The InChIKey is RQRHGSXFRIUNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-11(2)15-10-19(13(4)7-18-15)9-14-8-16-12(3)6-17-14/h6,8,11,13,15,18H,5,7,9-10H2,1-4H3.
What are the key properties of 2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine?
2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine has a molecular weight of 262.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine is sourced from PubChem (CID 64936642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).