About 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine;N-methyl-2-piperazin-1-ylethanamine;N-methyl-3-piperazin-1-ylpropan-1-amine;1-methylpiperidine
3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine;N-methyl-2-piperazin-1-ylethanamine;N-methyl-3-piperazin-1-ylpropan-1-amine;1-methylpiperidine (PubChem CID 90988077) has the molecular formula C32H75N11
and a molecular weight of 614.03 g/mol. Its IUPAC name is 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine;N-methyl-2-piperazin-1-ylethanamine;N-methyl-3-piperazin-1-ylpropan-1-amine;1-methylpiperidine.
Molecular Properties
| Compound Name | 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine;N-methyl-2-piperazin-1-ylethanamine;N-methyl-3-piperazin-1-ylpropan-1-amine;1-methylpiperidine |
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| PubChem CID | 90988077 |
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| Molecular Formula | C32H75N11 |
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| Molecular Weight | 614.03 g/mol |
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| Exact Mass | 613.62 |
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| IUPAC Name | 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine;N-methyl-2-piperazin-1-ylethanamine;N-methyl-3-piperazin-1-ylpropan-1-amine;1-methylpiperidine |
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| SMILES | CN1CCCCC1.CNCCCN1CCN(CCCN)CC1.CNCCCN1CCNCC1.CNCCN1CCNCC1 |
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| InChI | InChI=1S/C11H26N4.C8H19N3.C7H17N3.C6H13N/c1-13-5-3-7-15-10-8-14(9-11-15)6-2-4-12;1-9-3-2-6-11-7-4-10-5-8-11;1-8-2-5-10-6-3-9-4-7-10;1-7-5-3-2-4-6-7/h13H,2-12H2,1H3;9-10H,2-8H2,1H3;8-9H,2-7H2,1H3;2-6H2,1H3 |
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| InChIKey | HQPZGQZKDXBMLO-UHFFFAOYSA-N |
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| XLogP | -0.72 |
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| TPSA | 102.37 Ų |
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| H-Bond Donors | 6 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 614.03 |
| LogP ≤ 5 | -0.72 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Analyze 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine;N-methyl-2-piperazin-1-ylethanamine;N-methyl-3-piperazin-1-ylpropan-1-amine;1-methylpiperidine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine;N-methyl-2-piperazin-1-ylethanamine;N-methyl-3-piperazin-1-ylpropan-1-amine;1-methylpiperidine?
The IUPAC name of 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine;N-methyl-2-piperazin-1-ylethanamine;N-methyl-3-piperazin-1-ylpropan-1-amine;1-methylpiperidine (CID 90988077) is 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine;N-methyl-2-piperazin-1-ylethanamine;N-methyl-3-piperazin-1-ylpropan-1-amine;1-methylpiperidine.
What is the SMILES notation for 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine;N-methyl-2-piperazin-1-ylethanamine;N-methyl-3-piperazin-1-ylpropan-1-amine;1-methylpiperidine?
The canonical SMILES for 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine;N-methyl-2-piperazin-1-ylethanamine;N-methyl-3-piperazin-1-ylpropan-1-amine;1-methylpiperidine is CN1CCCCC1.CNCCCN1CCN(CCCN)CC1.CNCCCN1CCNCC1.CNCCN1CCNCC1.
What is the InChIKey of 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine;N-methyl-2-piperazin-1-ylethanamine;N-methyl-3-piperazin-1-ylpropan-1-amine;1-methylpiperidine?
The InChIKey is HQPZGQZKDXBMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4.C8H19N3.C7H17N3.C6H13N/c1-13-5-3-7-15-10-8-14(9-11-15)6-2-4-12;1-9-3-2-6-11-7-4-10-5-8-11;1-8-2-5-10-6-3-9-4-7-10;1-7-5-3-2-4-6-7/h13H,2-12H2,1H3;9-10H,2-8H2,1H3;8-9H,2-7H2,1H3;2-6H2,1H3.
What are the key properties of 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine;N-methyl-2-piperazin-1-ylethanamine;N-methyl-3-piperazin-1-ylpropan-1-amine;1-methylpiperidine?
3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine;N-methyl-2-piperazin-1-ylethanamine;N-methyl-3-piperazin-1-ylpropan-1-amine;1-methylpiperidine has a molecular weight of 614.03 g/mol, XLogP of -0.72, 14 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine;N-methyl-2-piperazin-1-ylethanamine;N-methyl-3-piperazin-1-ylpropan-1-amine;1-methylpiperidine is sourced from PubChem (CID 90988077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).