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;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-7-piperidin-1-ylheptan-3-one;bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one)

C115H224N14O10 — CID 157337141

About 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;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-7-piperidin-1-ylheptan-3-one;bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one)

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;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-7-piperidin-1-ylheptan-3-one;bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one) (PubChem CID 157337141) has the molecular formula C115H224N14O10 and a molecular weight of 1963.14 g/mol. Its IUPAC name is 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;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-7-piperidin-1-ylheptan-3-one;bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one).

Molecular Properties

• Compound Name: 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;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-7-piperidin-1-ylheptan-3-one;bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one)
• PubChem CID: 157337141
• Molecular Formula: C115H224N14O10
• Molecular Weight: 1963.14 g/mol
• Exact Mass: 1961.74
• IUPAC Name: 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;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-7-piperidin-1-ylheptan-3-one;bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one)
• SMILES: CC(C)C(=O)CCCCN1CCCCC1.CC(C)C(=O)CCCCN1CCN(C)CC1.CC(C)C(=O)CCCN1CCCCC1.CC(C)C(=O)CCCN1CCCCC1.CC(C)C(=O)CCCN1CCN(C)CC1.CC(C)C(=O)CCN1CCCCC1.CC(C)C(=O)CCN1CCCCC1.CC(C)C(=O)CCN1CCN(C)CC1.CC(C)C(=O)CN1CCCCC1.CC(C)C(=O)CN1CCN(C)CC1
• InChI: InChI=1S/C13H26N2O.C13H25NO.C12H24N2O.2C12H23NO.C11H22N2O.2C11H21NO.C10H20N2O.C10H19NO/c1-12(2)13(16)6-4-5-7-15-10-8-14(3)9-11-15;1-12(2)13(15)8-4-7-11-14-9-5-3-6-10-14;1-11(2)12(15)5-4-6-14-9-7-13(3)8-10-14;2*1-11(2)12(14)7-6-10-13-8-4-3-5-9-13;1-10(2)11(14)4-5-13-8-6-12(3)7-9-13;2*1-10(2)11(13)6-9-12-7-4-3-5-8-12;1-9(2)10(13)8-12-6-4-11(3)5-7-12;1-9(2)10(12)8-11-6-4-3-5-7-11/h12H,4-11H2,1-3H3;12H,3-11H2,1-2H3;11H,4-10H2,1-3H3;2*11H,3-10H2,1-2H3;10H,4-9H2,1-3H3;2*10H,3-9H2,1-2H3;9H,4-8H2,1-3H3;9H,3-8H2,1-2H3
• InChIKey: BFYPVMXVGXUMMF-UHFFFAOYSA-N
• XLogP: 17.87
• TPSA: 216.06 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 45
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1963.14
LogP ≤ 5	17.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-7-piperidin-1-ylheptan-3-one;bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one)?

The IUPAC name of 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;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-7-piperidin-1-ylheptan-3-one;bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one) (CID 157337141) is 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;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-7-piperidin-1-ylheptan-3-one;bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one).

What is the SMILES notation for 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;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-7-piperidin-1-ylheptan-3-one;bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one)?

The canonical SMILES for 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;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-7-piperidin-1-ylheptan-3-one;bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one) is CC(C)C(=O)CCCCN1CCCCC1.CC(C)C(=O)CCCCN1CCN(C)CC1.CC(C)C(=O)CCCN1CCCCC1.CC(C)C(=O)CCCN1CCCCC1.CC(C)C(=O)CCCN1CCN(C)CC1.CC(C)C(=O)CCN1CCCCC1.CC(C)C(=O)CCN1CCCCC1.CC(C)C(=O)CCN1CCN(C)CC1.CC(C)C(=O)CN1CCCCC1.CC(C)C(=O)CN1CCN(C)CC1.

What is the InChIKey of 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;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-7-piperidin-1-ylheptan-3-one;bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one)?

The InChIKey is BFYPVMXVGXUMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C13H25NO.C12H24N2O.2C12H23NO.C11H22N2O.2C11H21NO.C10H20N2O.C10H19NO/c1-12(2)13(16)6-4-5-7-15-10-8-14(3)9-11-15;1-12(2)13(15)8-4-7-11-14-9-5-3-6-10-14;1-11(2)12(15)5-4-6-14-9-7-13(3)8-10-14;2*1-11(2)12(14)7-6-10-13-8-4-3-5-9-13;1-10(2)11(14)4-5-13-8-6-12(3)7-9-13;2*1-10(2)11(13)6-9-12-7-4-3-5-8-12;1-9(2)10(13)8-12-6-4-11(3)5-7-12;1-9(2)10(12)8-11-6-4-3-5-7-11/h12H,4-11H2,1-3H3;12H,3-11H2,1-2H3;11H,4-10H2,1-3H3;2*11H,3-10H2,1-2H3;10H,4-9H2,1-3H3;2*10H,3-9H2,1-2H3;9H,4-8H2,1-3H3;9H,3-8H2,1-2H3.

What are the key properties of 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;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-7-piperidin-1-ylheptan-3-one;bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one)?

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;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-7-piperidin-1-ylheptan-3-one;bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one) has a molecular weight of 1963.14 g/mol, XLogP of 17.87, 45 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 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;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-7-piperidin-1-ylheptan-3-one;bis(2-methyl-6-piperidin-1-ylhexan-3-one);bis(4-methyl-1-piperidin-1-ylpentan-3-one) is sourced from PubChem (CID 157337141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).