2,5-dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine

C15H24N4O — CID 45184068

IUPAC2,5-dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN(CC3CCCO3)CC2)n1
InChIInChI=1S/C15H24N4O/c1-12-10-16-13(2)15(17-12)19-7-5-18(6-8-19)11-14-4-3-9-20-14/h10,14H,3-9,11H2,1-2H3
InChIKeyWBGJIVVYBXSRIS-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.39
Rot. Bonds3

About 2,5-dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine

2,5-dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine (PubChem CID 45184068) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,5-dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine
PubChem CID45184068
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2,5-dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN(CC3CCCO3)CC2)n1
InChIInChI=1S/C15H24N4O/c1-12-10-16-13(2)15(17-12)19-7-5-18(6-8-19)11-14-4-3-9-20-14/h10,14H,3-9,11H2,1-2H3
InChIKeyWBGJIVVYBXSRIS-UHFFFAOYSA-N
XLogP1.39
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine (CID 45184068) is 2,5-dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine is Cc1cnc(C)c(N2CCN(CC3CCCO3)CC2)n1.
What is the InChIKey of 2,5-dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine?
The InChIKey is WBGJIVVYBXSRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-10-16-13(2)15(17-12)19-7-5-18(6-8-19)11-14-4-3-9-20-14/h10,14H,3-9,11H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine?
2,5-dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine has a molecular weight of 276.38 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 45184068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).