1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methylazetidine;1-methylaziridine;2-methylfuran;3-methylfuran;1-methylimidazole;4-methylmorpholine;1-methyl-4-phenylpiperazine;4-methyl-1-phenylpiperidine;1-methylpiperazine;1-methylpiperidine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine

C107H184N20O3 — CID 159744992

About 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methylazetidine;1-methylaziridine;2-methylfuran;3-methylfuran;1-methylimidazole;4-methylmorpholine;1-methyl-4-phenylpiperazine;4-methyl-1-phenylpiperidine;1-methylpiperazine;1-methylpiperidine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine

1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methylazetidine;1-methylaziridine;2-methylfuran;3-methylfuran;1-methylimidazole;4-methylmorpholine;1-methyl-4-phenylpiperazine;4-methyl-1-phenylpiperidine;1-methylpiperazine;1-methylpiperidine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine (PubChem CID 159744992) has the molecular formula C107H184N20O3 and a molecular weight of 1798.79 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methylazetidine;1-methylaziridine;2-methylfuran;3-methylfuran;1-methylimidazole;4-methylmorpholine;1-methyl-4-phenylpiperazine;4-methyl-1-phenylpiperidine;1-methylpiperazine;1-methylpiperidine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine.

Molecular Properties

• Compound Name: 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methylazetidine;1-methylaziridine;2-methylfuran;3-methylfuran;1-methylimidazole;4-methylmorpholine;1-methyl-4-phenylpiperazine;4-methyl-1-phenylpiperidine;1-methylpiperazine;1-methylpiperidine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine
• PubChem CID: 159744992
• Molecular Formula: C107H184N20O3
• Molecular Weight: 1798.79 g/mol
• Exact Mass: 1797.49
• IUPAC Name: 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methylazetidine;1-methylaziridine;2-methylfuran;3-methylfuran;1-methylimidazole;4-methylmorpholine;1-methyl-4-phenylpiperazine;4-methyl-1-phenylpiperidine;1-methylpiperazine;1-methylpiperidine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine
• SMILES: CC1CCN(C)CC1.CC1CCN(c2ccccc2)CC1.CC1CCNCC1.CN1CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCN(c2ccccc2)CC1.CN1CCNCC1.CN1CCOCC1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccncc1.Cc1ccoc1.Cn1cccc1.Cn1ccnc1
• InChI: InChI=1S/C12H17N.C11H16N2.C7H15N.C6H14N2.C6H13N.2C6H7N.C6H13N.C6H7N.C5H12N2.C5H11NO.C5H11N.C5H7N.2C5H6O.C4H6N2.C4H9N.C3H7N/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;2*1-7-3-5-8(2)6-4-7;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-5-3-2-4-5;1-4-2-3-4/h2-6,11H,7-10H2,1H3;2-6H,7-10H2,1H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;6-7H,2-5H2,1H3;2*2-5H,1H3;2-6H2,1H3;2-5H,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;2-5H,1H3;3*2-4H,1H3;2-4H2,1H3;2-3H2,1H3
• InChIKey: NCXWFBOAJHTXJL-UHFFFAOYSA-N
• XLogP: 16.91
• TPSA: 159.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 2
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1798.79
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methylazetidine;1-methylaziridine;2-methylfuran;3-methylfuran;1-methylimidazole;4-methylmorpholine;1-methyl-4-phenylpiperazine;4-methyl-1-phenylpiperidine;1-methylpiperazine;1-methylpiperidine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine?

The IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methylazetidine;1-methylaziridine;2-methylfuran;3-methylfuran;1-methylimidazole;4-methylmorpholine;1-methyl-4-phenylpiperazine;4-methyl-1-phenylpiperidine;1-methylpiperazine;1-methylpiperidine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine (CID 159744992) is 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methylazetidine;1-methylaziridine;2-methylfuran;3-methylfuran;1-methylimidazole;4-methylmorpholine;1-methyl-4-phenylpiperazine;4-methyl-1-phenylpiperidine;1-methylpiperazine;1-methylpiperidine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine.

What is the SMILES notation for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methylazetidine;1-methylaziridine;2-methylfuran;3-methylfuran;1-methylimidazole;4-methylmorpholine;1-methyl-4-phenylpiperazine;4-methyl-1-phenylpiperidine;1-methylpiperazine;1-methylpiperidine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine?

The canonical SMILES for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methylazetidine;1-methylaziridine;2-methylfuran;3-methylfuran;1-methylimidazole;4-methylmorpholine;1-methyl-4-phenylpiperazine;4-methyl-1-phenylpiperidine;1-methylpiperazine;1-methylpiperidine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine is CC1CCN(C)CC1.CC1CCN(c2ccccc2)CC1.CC1CCNCC1.CN1CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCN(c2ccccc2)CC1.CN1CCNCC1.CN1CCOCC1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccncc1.Cc1ccoc1.Cn1cccc1.Cn1ccnc1.

What is the InChIKey of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methylazetidine;1-methylaziridine;2-methylfuran;3-methylfuran;1-methylimidazole;4-methylmorpholine;1-methyl-4-phenylpiperazine;4-methyl-1-phenylpiperidine;1-methylpiperazine;1-methylpiperidine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine?

The InChIKey is NCXWFBOAJHTXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C11H16N2.C7H15N.C6H14N2.C6H13N.2C6H7N.C6H13N.C6H7N.C5H12N2.C5H11NO.C5H11N.C5H7N.2C5H6O.C4H6N2.C4H9N.C3H7N/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;2*1-7-3-5-8(2)6-4-7;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-5-3-2-4-5;1-4-2-3-4/h2-6,11H,7-10H2,1H3;2-6H,7-10H2,1H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;6-7H,2-5H2,1H3;2*2-5H,1H3;2-6H2,1H3;2-5H,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;2-5H,1H3;3*2-4H,1H3;2-4H2,1H3;2-3H2,1H3.

What are the key properties of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methylazetidine;1-methylaziridine;2-methylfuran;3-methylfuran;1-methylimidazole;4-methylmorpholine;1-methyl-4-phenylpiperazine;4-methyl-1-phenylpiperidine;1-methylpiperazine;1-methylpiperidine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine?

1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methylazetidine;1-methylaziridine;2-methylfuran;3-methylfuran;1-methylimidazole;4-methylmorpholine;1-methyl-4-phenylpiperazine;4-methyl-1-phenylpiperidine;1-methylpiperazine;1-methylpiperidine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine has a molecular weight of 1798.79 g/mol, XLogP of 16.91, 2 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methylazetidine;1-methylaziridine;2-methylfuran;3-methylfuran;1-methylimidazole;4-methylmorpholine;1-methyl-4-phenylpiperazine;4-methyl-1-phenylpiperidine;1-methylpiperazine;1-methylpiperidine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine is sourced from PubChem (CID 159744992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).