1,2-dimethylimidazole;1,2-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;1,2-dimethylpyrrolidine;3,4-dimethylthiomorpholine;4-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane;2-methyl-1H-imidazole;2-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrrolidine;5-methylpyrrolidin-3-ol

C89H167N19O2S — CID 159891998

About 1,2-dimethylimidazole;1,2-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;1,2-dimethylpyrrolidine;3,4-dimethylthiomorpholine;4-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane;2-methyl-1H-imidazole;2-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrrolidine;5-methylpyrrolidin-3-ol

1,2-dimethylimidazole;1,2-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;1,2-dimethylpyrrolidine;3,4-dimethylthiomorpholine;4-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane;2-methyl-1H-imidazole;2-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrrolidine;5-methylpyrrolidin-3-ol (PubChem CID 159891998) has the molecular formula C89H167N19O2S and a molecular weight of 1567.51 g/mol. Its IUPAC name is 1,2-dimethylimidazole;1,2-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;1,2-dimethylpyrrolidine;3,4-dimethylthiomorpholine;4-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane;2-methyl-1H-imidazole;2-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrrolidine;5-methylpyrrolidin-3-ol.

Molecular Properties

• Compound Name: 1,2-dimethylimidazole;1,2-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;1,2-dimethylpyrrolidine;3,4-dimethylthiomorpholine;4-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane;2-methyl-1H-imidazole;2-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrrolidine;5-methylpyrrolidin-3-ol
• PubChem CID: 159891998
• Molecular Formula: C89H167N19O2S
• Molecular Weight: 1567.51 g/mol
• Exact Mass: 1566.33
• IUPAC Name: 1,2-dimethylimidazole;1,2-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;1,2-dimethylpyrrolidine;3,4-dimethylthiomorpholine;4-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane;2-methyl-1H-imidazole;2-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrrolidine;5-methylpyrrolidin-3-ol
• SMILES: CC12CCN(CC1)CC2.CC1CC(O)CN1.CC1CCCN1.CC1CCCN1C.CC1CCN(C)CC1.CC1CCNCC1.CC1CN2CCN1CC2.CC1CNCCN1C.CC1CNCCO1.CC1CSCCN1C.Cc1ccccn1.Cc1cccnc1.Cc1ccnc(C)c1.Cc1ncc[nH]1.Cc1nccn1C
• InChI: InChI=1S/C8H15N.C7H14N2.C7H15N.C7H9N.C6H14N2.C6H13NS.2C6H13N.2C6H7N.C5H8N2.2C5H11NO.C5H11N.C4H6N2/c1-8-2-5-9(6-3-8)7-4-8;1-7-6-8-2-4-9(7)5-3-8;1-7-3-5-8(2)6-4-7;1-6-3-4-8-7(2)5-6;1-6-5-7-3-4-8(6)2;1-6-5-8-4-3-7(6)2;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-4-7(5)2;1-4-2-5(7)3-6-4;1-5-4-6-2-3-7-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h2-7H2,1H3;7H,2-6H2,1H3;7H,3-6H2,1-2H3;3-5H,1-2H3;6-7H,3-5H2,1-2H3;6H,3-5H2,1-2H3;6H,3-5H2,1-2H3;6-7H,2-5H2,1H3;2*2-5H,1H3;3-4H,1-2H3;4-7H,2-3H2,1H3;5-6H,2-4H2,1H3;5-6H,2-4H2,1H3;2-3H,1H3,(H,5,6)
• InChIKey: NUWFTYXJDVXXIF-UHFFFAOYSA-N
• XLogP: 12.32
• TPSA: 197.46 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1567.51
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;1,2-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;1,2-dimethylpyrrolidine;3,4-dimethylthiomorpholine;4-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane;2-methyl-1H-imidazole;2-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrrolidine;5-methylpyrrolidin-3-ol?

The IUPAC name of 1,2-dimethylimidazole;1,2-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;1,2-dimethylpyrrolidine;3,4-dimethylthiomorpholine;4-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane;2-methyl-1H-imidazole;2-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrrolidine;5-methylpyrrolidin-3-ol (CID 159891998) is 1,2-dimethylimidazole;1,2-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;1,2-dimethylpyrrolidine;3,4-dimethylthiomorpholine;4-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane;2-methyl-1H-imidazole;2-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrrolidine;5-methylpyrrolidin-3-ol.

What is the SMILES notation for 1,2-dimethylimidazole;1,2-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;1,2-dimethylpyrrolidine;3,4-dimethylthiomorpholine;4-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane;2-methyl-1H-imidazole;2-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrrolidine;5-methylpyrrolidin-3-ol?

The canonical SMILES for 1,2-dimethylimidazole;1,2-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;1,2-dimethylpyrrolidine;3,4-dimethylthiomorpholine;4-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane;2-methyl-1H-imidazole;2-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrrolidine;5-methylpyrrolidin-3-ol is CC12CCN(CC1)CC2.CC1CC(O)CN1.CC1CCCN1.CC1CCCN1C.CC1CCN(C)CC1.CC1CCNCC1.CC1CN2CCN1CC2.CC1CNCCN1C.CC1CNCCO1.CC1CSCCN1C.Cc1ccccn1.Cc1cccnc1.Cc1ccnc(C)c1.Cc1ncc[nH]1.Cc1nccn1C.

What is the InChIKey of 1,2-dimethylimidazole;1,2-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;1,2-dimethylpyrrolidine;3,4-dimethylthiomorpholine;4-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane;2-methyl-1H-imidazole;2-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrrolidine;5-methylpyrrolidin-3-ol?

The InChIKey is NUWFTYXJDVXXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C7H14N2.C7H15N.C7H9N.C6H14N2.C6H13NS.2C6H13N.2C6H7N.C5H8N2.2C5H11NO.C5H11N.C4H6N2/c1-8-2-5-9(6-3-8)7-4-8;1-7-6-8-2-4-9(7)5-3-8;1-7-3-5-8(2)6-4-7;1-6-3-4-8-7(2)5-6;1-6-5-7-3-4-8(6)2;1-6-5-8-4-3-7(6)2;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-4-7(5)2;1-4-2-5(7)3-6-4;1-5-4-6-2-3-7-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h2-7H2,1H3;7H,2-6H2,1H3;7H,3-6H2,1-2H3;3-5H,1-2H3;6-7H,3-5H2,1-2H3;6H,3-5H2,1-2H3;6H,3-5H2,1-2H3;6-7H,2-5H2,1H3;2*2-5H,1H3;3-4H,1-2H3;4-7H,2-3H2,1H3;5-6H,2-4H2,1H3;5-6H,2-4H2,1H3;2-3H,1H3,(H,5,6).

What are the key properties of 1,2-dimethylimidazole;1,2-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;1,2-dimethylpyrrolidine;3,4-dimethylthiomorpholine;4-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane;2-methyl-1H-imidazole;2-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrrolidine;5-methylpyrrolidin-3-ol?

1,2-dimethylimidazole;1,2-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;1,2-dimethylpyrrolidine;3,4-dimethylthiomorpholine;4-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane;2-methyl-1H-imidazole;2-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrrolidine;5-methylpyrrolidin-3-ol has a molecular weight of 1567.51 g/mol, XLogP of 12.32, 0 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethylimidazole;1,2-dimethylpiperazine;1,4-dimethylpiperidine;2,4-dimethylpyridine;1,2-dimethylpyrrolidine;3,4-dimethylthiomorpholine;4-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane;2-methyl-1H-imidazole;2-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrrolidine;5-methylpyrrolidin-3-ol is sourced from PubChem (CID 159891998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).