3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine

C15H24N4O2 — CID 124846370

IUPAC3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCN(C[C@@H]3COCCO3)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-12-9-16-13(2)15(17-12)19-5-3-18(4-6-19)10-14-11-20-7-8-21-14/h9,14H,3-8,10-11H2,1-2H3/t14-/m1/s1
InChIKeyIRHZYDKKHAIFQR-CQSZACIVSA-N
MW292.38 g/mol
LogP0.63
Rot. Bonds3

About 3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine

3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine (PubChem CID 124846370) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine
PubChem CID124846370
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCN(C[C@@H]3COCCO3)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-12-9-16-13(2)15(17-12)19-5-3-18(4-6-19)10-14-11-20-7-8-21-14/h9,14H,3-8,10-11H2,1-2H3/t14-/m1/s1
InChIKeyIRHZYDKKHAIFQR-CQSZACIVSA-N
XLogP0.63
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine?
The IUPAC name of 3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine (CID 124846370) is 3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine?
The canonical SMILES for 3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine is Cc1cnc(C)c(N2CCN(C[C@@H]3COCCO3)CC2)n1.
What is the InChIKey of 3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine?
The InChIKey is IRHZYDKKHAIFQR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-9-16-13(2)15(17-12)19-5-3-18(4-6-19)10-14-11-20-7-8-21-14/h9,14H,3-8,10-11H2,1-2H3/t14-/m1/s1.
What are the key properties of 3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine?
3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine has a molecular weight of 292.38 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine is sourced from PubChem (CID 124846370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).