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;bis(2-methyl-8-piperidin-1-yloctan-4-one)

C68H133N7O6 — CID 160678967

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;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;bis(2-methyl-8-piperidin-1-yloctan-4-one) (PubChem CID 160678967) has the molecular formula C68H133N7O6 and a molecular weight of 1144.85 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;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;bis(2-methyl-8-piperidin-1-yloctan-4-one)
• PubChem CID: 160678967
• Molecular Formula: C68H133N7O6
• Molecular Weight: 1144.85 g/mol
• Exact Mass: 1144.03
• 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;bis(2-methyl-8-piperidin-1-yloctan-4-one)
• SMILES: 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)CCCN1CCN(C)CC1
• InChI: InChI=1S/C14H28N2O.2C14H27NO.C13H26N2O.C13H25NO2/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/h13H,4-12H2,1-3H3;2*13H,3-12H2,1-2H3;12H,4-11H2,1-3H3;12H,3-11H2,1-2H3
• InChIKey: RNWVVWULTZHELA-UHFFFAOYSA-N
• XLogP: 12.27
• TPSA: 117.26 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 34
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1144.85
LogP ≤ 5	12.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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;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;bis(2-methyl-8-piperidin-1-yloctan-4-one) (CID 160678967) 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;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;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;bis(2-methyl-8-piperidin-1-yloctan-4-one) is 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)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;bis(2-methyl-8-piperidin-1-yloctan-4-one)?

The InChIKey is RNWVVWULTZHELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.2C14H27NO.C13H26N2O.C13H25NO2/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/h13H,4-12H2,1-3H3;2*13H,3-12H2,1-2H3;12H,4-11H2,1-3H3;12H,3-11H2,1-2H3.

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;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;bis(2-methyl-8-piperidin-1-yloctan-4-one) has a molecular weight of 1144.85 g/mol, XLogP of 12.27, 34 rotatable bonds, 0 hydrogen bond donors, and 13 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;bis(2-methyl-8-piperidin-1-yloctan-4-one) is sourced from PubChem (CID 160678967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).