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;2-methyl-7-morpholin-4-ylheptan-3-one;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-6-piperidin-1-ylhexan-3-one;4-methyl-1-piperidin-1-ylpentan-3-one

C91H178N12O9 — CID 159121861

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;2-methyl-7-morpholin-4-ylheptan-3-one;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-6-piperidin-1-ylhexan-3-one;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;2-methyl-7-morpholin-4-ylheptan-3-one;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-6-piperidin-1-ylhexan-3-one;4-methyl-1-piperidin-1-ylpentan-3-one (PubChem CID 159121861) has the molecular formula C91H178N12O9 and a molecular weight of 1584.50 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;2-methyl-7-morpholin-4-ylheptan-3-one;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-6-piperidin-1-ylhexan-3-one;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;2-methyl-7-morpholin-4-ylheptan-3-one;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-6-piperidin-1-ylhexan-3-one;4-methyl-1-piperidin-1-ylpentan-3-one
• PubChem CID: 159121861
• Molecular Formula: C91H178N12O9
• Molecular Weight: 1584.50 g/mol
• Exact Mass: 1583.38
• 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;2-methyl-7-morpholin-4-ylheptan-3-one;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-6-piperidin-1-ylhexan-3-one;4-methyl-1-piperidin-1-ylpentan-3-one
• SMILES: CC(C)C(=O)CCCCN1CCN(C)CC1.CC(C)C(=O)CCCCN1CCOCC1.CC(C)C(=O)CCCN1CCCCC1.CC(C)C(=O)CCCN1CCN(C)CC1.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.C12H24N2O.C12H23NO2.C12H23NO.C11H22N2O.C11H21NO.C10H20N2O.C10H19NO/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;1-11(2)12(14)5-3-4-6-13-7-9-15-10-8-13;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;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;11H,4-10H2,1-3H3;11H,3-10H2,1-2H3;11H,3-10H2,1-2H3;10H,4-9H2,1-3H3;10H,3-9H2,1-2H3;9H,4-8H2,1-3H3;9H,3-8H2,1-2H3
• InChIKey: KFUGMZSTLVAXPL-UHFFFAOYSA-N
• XLogP: 12.15
• TPSA: 184.67 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 36
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1584.50
LogP ≤ 5	12.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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;2-methyl-7-morpholin-4-ylheptan-3-one;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-6-piperidin-1-ylhexan-3-one;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;2-methyl-7-morpholin-4-ylheptan-3-one;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-6-piperidin-1-ylhexan-3-one;4-methyl-1-piperidin-1-ylpentan-3-one (CID 159121861) 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;2-methyl-7-morpholin-4-ylheptan-3-one;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-6-piperidin-1-ylhexan-3-one;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;2-methyl-7-morpholin-4-ylheptan-3-one;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-6-piperidin-1-ylhexan-3-one;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;2-methyl-7-morpholin-4-ylheptan-3-one;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-6-piperidin-1-ylhexan-3-one;4-methyl-1-piperidin-1-ylpentan-3-one is CC(C)C(=O)CCCCN1CCN(C)CC1.CC(C)C(=O)CCCCN1CCOCC1.CC(C)C(=O)CCCN1CCCCC1.CC(C)C(=O)CCCN1CCN(C)CC1.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;2-methyl-7-morpholin-4-ylheptan-3-one;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-6-piperidin-1-ylhexan-3-one;4-methyl-1-piperidin-1-ylpentan-3-one?

The InChIKey is KFUGMZSTLVAXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C12H24N2O.C12H23NO2.C12H23NO.C11H22N2O.C11H21NO.C10H20N2O.C10H19NO/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;1-11(2)12(14)5-3-4-6-13-7-9-15-10-8-13;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;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;11H,4-10H2,1-3H3;11H,3-10H2,1-2H3;11H,3-10H2,1-2H3;10H,4-9H2,1-3H3;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;2-methyl-7-morpholin-4-ylheptan-3-one;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-6-piperidin-1-ylhexan-3-one;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;2-methyl-7-morpholin-4-ylheptan-3-one;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-6-piperidin-1-ylhexan-3-one;4-methyl-1-piperidin-1-ylpentan-3-one has a molecular weight of 1584.50 g/mol, XLogP of 12.15, 36 rotatable bonds, 0 hydrogen bond donors, and 21 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;2-methyl-7-morpholin-4-ylheptan-3-one;3-methyl-1-piperidin-1-ylbutan-2-one;2-methyl-6-piperidin-1-ylhexan-3-one;4-methyl-1-piperidin-1-ylpentan-3-one is sourced from PubChem (CID 159121861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).