methane;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;6-methyl-1-piperidin-1-ylheptan-4-one;tris(2-methyl-8-piperidin-1-yloctan-4-one)

C83H164N8O6 — CID 161440179

About methane;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;6-methyl-1-piperidin-1-ylheptan-4-one;tris(2-methyl-8-piperidin-1-yloctan-4-one)

methane;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;6-methyl-1-piperidin-1-ylheptan-4-one;tris(2-methyl-8-piperidin-1-yloctan-4-one) (PubChem CID 161440179) has the molecular formula C83H164N8O6 and a molecular weight of 1370.27 g/mol. Its IUPAC name is methane;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;6-methyl-1-piperidin-1-ylheptan-4-one;tris(2-methyl-8-piperidin-1-yloctan-4-one).

Molecular Properties

• Compound Name: methane;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;6-methyl-1-piperidin-1-ylheptan-4-one;tris(2-methyl-8-piperidin-1-yloctan-4-one)
• PubChem CID: 161440179
• Molecular Formula: C83H164N8O6
• Molecular Weight: 1370.27 g/mol
• Exact Mass: 1369.28
• IUPAC Name: methane;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;6-methyl-1-piperidin-1-ylheptan-4-one;tris(2-methyl-8-piperidin-1-yloctan-4-one)
• SMILES: C.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCN(C)CC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCN(C)CC1
• InChI: InChI=1S/C14H28N2O.3C14H27NO.C13H26N2O.C13H25NO.CH4/c1-13(2)12-14(17)6-4-5-7-16-10-8-15(3)9-11-16;3*1-13(2)12-14(16)8-4-7-11-15-9-5-3-6-10-15;1-12(2)11-13(16)5-4-6-15-9-7-14(3)8-10-15;1-12(2)11-13(15)7-6-10-14-8-4-3-5-9-14;/h13H,4-12H2,1-3H3;3*13H,3-12H2,1-2H3;12H,4-11H2,1-3H3;12H,3-11H2,1-2H3;1H4
• InChIKey: VZDZMBWWTCYSTB-UHFFFAOYSA-N
• XLogP: 16.93
• TPSA: 128.34 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 40
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1370.27
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	0
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 methane;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;6-methyl-1-piperidin-1-ylheptan-4-one;tris(2-methyl-8-piperidin-1-yloctan-4-one)?

The IUPAC name of methane;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;6-methyl-1-piperidin-1-ylheptan-4-one;tris(2-methyl-8-piperidin-1-yloctan-4-one) (CID 161440179) is methane;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;6-methyl-1-piperidin-1-ylheptan-4-one;tris(2-methyl-8-piperidin-1-yloctan-4-one).

What is the SMILES notation for methane;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;6-methyl-1-piperidin-1-ylheptan-4-one;tris(2-methyl-8-piperidin-1-yloctan-4-one)?

The canonical SMILES for methane;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;6-methyl-1-piperidin-1-ylheptan-4-one;tris(2-methyl-8-piperidin-1-yloctan-4-one) is C.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCN(C)CC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCN(C)CC1.

What is the InChIKey of methane;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;6-methyl-1-piperidin-1-ylheptan-4-one;tris(2-methyl-8-piperidin-1-yloctan-4-one)?

The InChIKey is VZDZMBWWTCYSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.3C14H27NO.C13H26N2O.C13H25NO.CH4/c1-13(2)12-14(17)6-4-5-7-16-10-8-15(3)9-11-16;3*1-13(2)12-14(16)8-4-7-11-15-9-5-3-6-10-15;1-12(2)11-13(16)5-4-6-15-9-7-14(3)8-10-15;1-12(2)11-13(15)7-6-10-14-8-4-3-5-9-14;/h13H,4-12H2,1-3H3;3*13H,3-12H2,1-2H3;12H,4-11H2,1-3H3;12H,3-11H2,1-2H3;1H4.

What are the key properties of methane;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;6-methyl-1-piperidin-1-ylheptan-4-one;tris(2-methyl-8-piperidin-1-yloctan-4-one)?

methane;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;6-methyl-1-piperidin-1-ylheptan-4-one;tris(2-methyl-8-piperidin-1-yloctan-4-one) has a molecular weight of 1370.27 g/mol, XLogP of 16.93, 40 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for methane;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;6-methyl-1-piperidin-1-ylheptan-4-one;tris(2-methyl-8-piperidin-1-yloctan-4-one) is sourced from PubChem (CID 161440179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).