methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one

C47H96N8O4 — CID 158419372

About methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one

methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one (PubChem CID 158419372) has the molecular formula C47H96N8O4 and a molecular weight of 837.34 g/mol. Its IUPAC name is methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one.

Molecular Properties

• Compound Name: methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one
• PubChem CID: 158419372
• Molecular Formula: C47H96N8O4
• Molecular Weight: 837.34 g/mol
• Exact Mass: 836.76
• IUPAC Name: methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one
• SMILES: C.CC(C)C(=O)CCCCN1CCN(C)CC1.CC(C)C(=O)CCCN1CCN(C)CC1.CC(C)C(=O)CCN1CCN(C)CC1.CC(C)C(=O)CN1CCN(C)CC1
• InChI: InChI=1S/C13H26N2O.C12H24N2O.C11H22N2O.C10H20N2O.CH4/c1-12(2)13(16)6-4-5-7-15-10-8-14(3)9-11-15;1-11(2)12(15)5-4-6-14-9-7-13(3)8-10-14;1-10(2)11(14)4-5-13-8-6-12(3)7-9-13;1-9(2)10(13)8-12-6-4-11(3)5-7-12;/h12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;1H4
• InChIKey: HAHLZPBESKXBRZ-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 94.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.34
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one?

The IUPAC name of methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one (CID 158419372) is methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one.

What is the SMILES notation for methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one?

The canonical SMILES for methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one is C.CC(C)C(=O)CCCCN1CCN(C)CC1.CC(C)C(=O)CCCN1CCN(C)CC1.CC(C)C(=O)CCN1CCN(C)CC1.CC(C)C(=O)CN1CCN(C)CC1.

What is the InChIKey of methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one?

The InChIKey is HAHLZPBESKXBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C12H24N2O.C11H22N2O.C10H20N2O.CH4/c1-12(2)13(16)6-4-5-7-15-10-8-14(3)9-11-15;1-11(2)12(15)5-4-6-14-9-7-13(3)8-10-14;1-10(2)11(14)4-5-13-8-6-12(3)7-9-13;1-9(2)10(13)8-12-6-4-11(3)5-7-12;/h12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;1H4.

What are the key properties of methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one?

methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one has a molecular weight of 837.34 g/mol, XLogP of 4.81, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;2-methyl-7-(4-methylpiperazin-1-yl)heptan-3-one;2-methyl-6-(4-methylpiperazin-1-yl)hexan-3-one;4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one is sourced from PubChem (CID 158419372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).