1,4-dimethylpiperazine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-N'-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine;N-methyl-N'-[(3R)-1-methylpyrrolidin-3-yl]ethane-1,2-diamine;N-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]oxyethanamine

C38H89N13O — CID 90705902

About 1,4-dimethylpiperazine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-N'-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine;N-methyl-N'-[(3R)-1-methylpyrrolidin-3-yl]ethane-1,2-diamine;N-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]oxyethanamine

1,4-dimethylpiperazine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-N'-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine;N-methyl-N'-[(3R)-1-methylpyrrolidin-3-yl]ethane-1,2-diamine;N-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]oxyethanamine (PubChem CID 90705902) has the molecular formula C38H89N13O and a molecular weight of 744.22 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-N'-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine;N-methyl-N'-[(3R)-1-methylpyrrolidin-3-yl]ethane-1,2-diamine;N-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]oxyethanamine.

Molecular Properties

• Compound Name: 1,4-dimethylpiperazine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-N'-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine;N-methyl-N'-[(3R)-1-methylpyrrolidin-3-yl]ethane-1,2-diamine;N-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]oxyethanamine
• PubChem CID: 90705902
• Molecular Formula: C38H89N13O
• Molecular Weight: 744.22 g/mol
• Exact Mass: 743.73
• IUPAC Name: 1,4-dimethylpiperazine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-N'-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine;N-methyl-N'-[(3R)-1-methylpyrrolidin-3-yl]ethane-1,2-diamine;N-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]oxyethanamine
• SMILES: CN1CCN(C)CC1.CNCCN1CCN(C)CC1.CNCCNC1CCN(C)C1.CNCCN[C@@H]1CCN(C)C1.CNCCO[C@@H]1CCN(C)C1
• InChI: InChI=1S/3C8H19N3.C8H18N2O.C6H14N2/c2*1-9-4-5-10-8-3-6-11(2)7-8;1-9-3-4-11-7-5-10(2)6-8-11;1-9-4-6-11-8-3-5-10(2)7-8;1-7-3-5-8(2)6-4-7/h2*8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;3-6H2,1-2H3/t8-;;;8-;/m1..1./s1
• InChIKey: VHQAQRIOMIOYBY-ZMFGYTANSA-N
• XLogP: -1.76
• TPSA: 104.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	744.22
LogP ≤ 5	-1.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-N'-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine;N-methyl-N'-[(3R)-1-methylpyrrolidin-3-yl]ethane-1,2-diamine;N-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]oxyethanamine?

The IUPAC name of 1,4-dimethylpiperazine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-N'-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine;N-methyl-N'-[(3R)-1-methylpyrrolidin-3-yl]ethane-1,2-diamine;N-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]oxyethanamine (CID 90705902) is 1,4-dimethylpiperazine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-N'-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine;N-methyl-N'-[(3R)-1-methylpyrrolidin-3-yl]ethane-1,2-diamine;N-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]oxyethanamine.

What is the SMILES notation for 1,4-dimethylpiperazine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-N'-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine;N-methyl-N'-[(3R)-1-methylpyrrolidin-3-yl]ethane-1,2-diamine;N-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]oxyethanamine?

The canonical SMILES for 1,4-dimethylpiperazine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-N'-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine;N-methyl-N'-[(3R)-1-methylpyrrolidin-3-yl]ethane-1,2-diamine;N-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]oxyethanamine is CN1CCN(C)CC1.CNCCN1CCN(C)CC1.CNCCNC1CCN(C)C1.CNCCN[C@@H]1CCN(C)C1.CNCCO[C@@H]1CCN(C)C1.

What is the InChIKey of 1,4-dimethylpiperazine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-N'-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine;N-methyl-N'-[(3R)-1-methylpyrrolidin-3-yl]ethane-1,2-diamine;N-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]oxyethanamine?

The InChIKey is VHQAQRIOMIOYBY-ZMFGYTANSA-N. The full InChI is InChI=1S/3C8H19N3.C8H18N2O.C6H14N2/c2*1-9-4-5-10-8-3-6-11(2)7-8;1-9-3-4-11-7-5-10(2)6-8-11;1-9-4-6-11-8-3-5-10(2)7-8;1-7-3-5-8(2)6-4-7/h2*8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;3-6H2,1-2H3/t8-;;;8-;/m1..1./s1.

What are the key properties of 1,4-dimethylpiperazine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-N'-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine;N-methyl-N'-[(3R)-1-methylpyrrolidin-3-yl]ethane-1,2-diamine;N-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]oxyethanamine?

1,4-dimethylpiperazine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-N'-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine;N-methyl-N'-[(3R)-1-methylpyrrolidin-3-yl]ethane-1,2-diamine;N-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]oxyethanamine has a molecular weight of 744.22 g/mol, XLogP of -1.76, 15 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylpiperazine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-N'-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine;N-methyl-N'-[(3R)-1-methylpyrrolidin-3-yl]ethane-1,2-diamine;N-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]oxyethanamine is sourced from PubChem (CID 90705902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).