1,4-dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene

C60H108N13O2S3+5 — CID 159590349

About 1,4-dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene

1,4-dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene (PubChem CID 159590349) has the molecular formula C60H108N13O2S3+5 and a molecular weight of 1139.81 g/mol. Its IUPAC name is 1,4-dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene.

Molecular Properties

• Compound Name: 1,4-dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene
• PubChem CID: 159590349
• Molecular Formula: C60H108N13O2S3+5
• Molecular Weight: 1139.81 g/mol
• Exact Mass: 1138.79
• IUPAC Name: 1,4-dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene
• SMILES: CC1CC[NH+](C)CC1.CN1CC[NH+](C)CC1.COC1CC[NH+](C)CC1.C[NH+]1CCCCC1.C[NH+]1CCOCC1.Cc1cccnc1.Cc1cccs1.Cc1ccncn1.Cc1cnccn1.Cc1cscn1.Cc1nccs1
• InChI: InChI=1S/C7H15NO.C7H15N.C6H14N2.C6H7N.C6H13N.2C5H6N2.C5H11NO.C5H6S.2C4H5NS/c1-8-5-3-7(9-2)4-6-8;2*1-7-3-5-8(2)6-4-7;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-6-2-4-7-5-3-6;1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-5-2-3-6-4/h7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;2-5H,1H3;2-6H2,1H3;2*2-4H,1H3;2-5H2,1H3;2-4H,1H3;2*2-3H,1H3/p+5
• InChIKey: MKDRPHWFWSJPRZ-UHFFFAOYSA-S
• XLogP: 3.82
• TPSA: 134.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 1
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1139.81
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene?

The IUPAC name of 1,4-dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene (CID 159590349) is 1,4-dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene.

What is the SMILES notation for 1,4-dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene?

The canonical SMILES for 1,4-dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene is CC1CC[NH+](C)CC1.CN1CC[NH+](C)CC1.COC1CC[NH+](C)CC1.C[NH+]1CCCCC1.C[NH+]1CCOCC1.Cc1cccnc1.Cc1cccs1.Cc1ccncn1.Cc1cnccn1.Cc1cscn1.Cc1nccs1.

What is the InChIKey of 1,4-dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene?

The InChIKey is MKDRPHWFWSJPRZ-UHFFFAOYSA-S. The full InChI is InChI=1S/C7H15NO.C7H15N.C6H14N2.C6H7N.C6H13N.2C5H6N2.C5H11NO.C5H6S.2C4H5NS/c1-8-5-3-7(9-2)4-6-8;2*1-7-3-5-8(2)6-4-7;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-6-2-4-7-5-3-6;1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-5-2-3-6-4/h7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;2-5H,1H3;2-6H2,1H3;2*2-4H,1H3;2-5H2,1H3;2-4H,1H3;2*2-3H,1H3/p+5.

What are the key properties of 1,4-dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene?

1,4-dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene has a molecular weight of 1139.81 g/mol, XLogP of 3.82, 1 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylpiperazin-1-ium;1,4-dimethylpiperidin-1-ium;4-methoxy-1-methylpiperidin-1-ium;4-methylmorpholin-4-ium;1-methylpiperidin-1-ium;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene is sourced from PubChem (CID 159590349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).