2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine

C18H24N4O — CID 86959684

IUPAC2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine
SMILESCOc1cncc(N2CCN(Cc3cc(C)ccc3C)CC2)n1
InChIInChI=1S/C18H24N4O/c1-14-4-5-15(2)16(10-14)13-21-6-8-22(9-7-21)17-11-19-12-18(20-17)23-3/h4-5,10-12H,6-9,13H2,1-3H3
InChIKeyOYMZXGGFQHPYSW-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.42
Rot. Bonds4

About 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine

2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine (PubChem CID 86959684) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine.

Molecular Properties

Compound Name2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine
PubChem CID86959684
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine
SMILESCOc1cncc(N2CCN(Cc3cc(C)ccc3C)CC2)n1
InChIInChI=1S/C18H24N4O/c1-14-4-5-15(2)16(10-14)13-21-6-8-22(9-7-21)17-11-19-12-18(20-17)23-3/h4-5,10-12H,6-9,13H2,1-3H3
InChIKeyOYMZXGGFQHPYSW-UHFFFAOYSA-N
XLogP2.42
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole
CID 71102532
ethyl 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 3011135
2-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 166710904
2-methoxy-6-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]pyrazine
CID 86959692
2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine
CID 155799860
2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine
CID 133401963
N-[(2S)-butan-2-yl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 95980361
4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171130683
1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 791479
1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone
CID 86959616
4-ethyl-2-[6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137256516
2-(4-cyclohexylpiperazin-1-yl)-6-methoxypyrazine
CID 171701805

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine?
The IUPAC name of 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine (CID 86959684) is 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine.
What is the SMILES notation for 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine?
The canonical SMILES for 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine is COc1cncc(N2CCN(Cc3cc(C)ccc3C)CC2)n1.
What is the InChIKey of 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine?
The InChIKey is OYMZXGGFQHPYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-4-5-15(2)16(10-14)13-21-6-8-22(9-7-21)17-11-19-12-18(20-17)23-3/h4-5,10-12H,6-9,13H2,1-3H3.
What are the key properties of 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine?
2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine has a molecular weight of 312.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine is sourced from PubChem (CID 86959684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).