6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;2-methyl-8-morpholin-4-yloctan-4-one;4-methylpentan-2-one;6-methyl-1-piperidin-1-ylheptan-4-one;bis(2-methyl-8-piperidin-1-yloctan-4-one)

C87H170N8O8 — CID 164965136

About 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;2-methyl-8-morpholin-4-yloctan-4-one;4-methylpentan-2-one;6-methyl-1-piperidin-1-ylheptan-4-one;bis(2-methyl-8-piperidin-1-yloctan-4-one)

6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;2-methyl-8-morpholin-4-yloctan-4-one;4-methylpentan-2-one;6-methyl-1-piperidin-1-ylheptan-4-one;bis(2-methyl-8-piperidin-1-yloctan-4-one) (PubChem CID 164965136) has the molecular formula C87H170N8O8 and a molecular weight of 1456.36 g/mol. Its IUPAC name is 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;2-methyl-8-morpholin-4-yloctan-4-one;4-methylpentan-2-one;6-methyl-1-piperidin-1-ylheptan-4-one;bis(2-methyl-8-piperidin-1-yloctan-4-one).

Molecular Properties

• Compound Name: 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;2-methyl-8-morpholin-4-yloctan-4-one;4-methylpentan-2-one;6-methyl-1-piperidin-1-ylheptan-4-one;bis(2-methyl-8-piperidin-1-yloctan-4-one)
• PubChem CID: 164965136
• Molecular Formula: C87H170N8O8
• Molecular Weight: 1456.36 g/mol
• Exact Mass: 1455.31
• IUPAC Name: 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;2-methyl-8-morpholin-4-yloctan-4-one;4-methylpentan-2-one;6-methyl-1-piperidin-1-ylheptan-4-one;bis(2-methyl-8-piperidin-1-yloctan-4-one)
• SMILES: CC(=O)CC(C)C.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCN(C)CC1.CC(C)CC(=O)CCCCN1CCOCC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCN(C)CC1
• InChI: InChI=1S/C14H28N2O.2C14H27NO.C13H26N2O.C13H25NO2.C13H25NO.C6H12O/c1-13(2)12-14(17)6-4-5-7-16-10-8-15(3)9-11-16;2*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)5-3-4-6-14-7-9-16-10-8-14;1-12(2)11-13(15)7-6-10-14-8-4-3-5-9-14;1-5(2)4-6(3)7/h13H,4-12H2,1-3H3;2*13H,3-12H2,1-2H3;12H,4-11H2,1-3H3;12H,3-11H2,1-2H3;12H,3-11H2,1-2H3;5H,4H2,1-3H3
• InChIKey: CJPPDOCZMWPFQY-UHFFFAOYSA-N
• XLogP: 16.76
• TPSA: 154.64 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 42
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1456.36
LogP ≤ 5	16.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;2-methyl-8-morpholin-4-yloctan-4-one;4-methylpentan-2-one;6-methyl-1-piperidin-1-ylheptan-4-one;bis(2-methyl-8-piperidin-1-yloctan-4-one)?

The IUPAC name of 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;2-methyl-8-morpholin-4-yloctan-4-one;4-methylpentan-2-one;6-methyl-1-piperidin-1-ylheptan-4-one;bis(2-methyl-8-piperidin-1-yloctan-4-one) (CID 164965136) is 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;2-methyl-8-morpholin-4-yloctan-4-one;4-methylpentan-2-one;6-methyl-1-piperidin-1-ylheptan-4-one;bis(2-methyl-8-piperidin-1-yloctan-4-one).

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

The canonical SMILES for 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;2-methyl-8-morpholin-4-yloctan-4-one;4-methylpentan-2-one;6-methyl-1-piperidin-1-ylheptan-4-one;bis(2-methyl-8-piperidin-1-yloctan-4-one) is CC(=O)CC(C)C.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCN(C)CC1.CC(C)CC(=O)CCCCN1CCOCC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCN(C)CC1.

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

The InChIKey is CJPPDOCZMWPFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.2C14H27NO.C13H26N2O.C13H25NO2.C13H25NO.C6H12O/c1-13(2)12-14(17)6-4-5-7-16-10-8-15(3)9-11-16;2*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)5-3-4-6-14-7-9-16-10-8-14;1-12(2)11-13(15)7-6-10-14-8-4-3-5-9-14;1-5(2)4-6(3)7/h13H,4-12H2,1-3H3;2*13H,3-12H2,1-2H3;12H,4-11H2,1-3H3;12H,3-11H2,1-2H3;12H,3-11H2,1-2H3;5H,4H2,1-3H3.

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

6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;2-methyl-8-morpholin-4-yloctan-4-one;4-methylpentan-2-one;6-methyl-1-piperidin-1-ylheptan-4-one;bis(2-methyl-8-piperidin-1-yloctan-4-one) has a molecular weight of 1456.36 g/mol, XLogP of 16.76, 42 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;2-methyl-8-morpholin-4-yloctan-4-one;4-methylpentan-2-one;6-methyl-1-piperidin-1-ylheptan-4-one;bis(2-methyl-8-piperidin-1-yloctan-4-one) is sourced from PubChem (CID 164965136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).