1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one

C90H184N14O8+2 — CID 161474083

About 1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one

1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one (PubChem CID 161474083) has the molecular formula C90H184N14O8+2 and a molecular weight of 1590.55 g/mol. Its IUPAC name is 1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

• Compound Name: 1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
• PubChem CID: 161474083
• Molecular Formula: C90H184N14O8+2
• Molecular Weight: 1590.55 g/mol
• Exact Mass: 1589.44
• IUPAC Name: 1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
• SMILES: C.C.CC(C)C(C)C(=O)N1CCN(C)CC1.CC(C)C(C)C(=O)N1CC[N+](C)(C)CC1.CC(C)CC(=O)N1CCC(N(C)C)CC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCN(C)CC1.CC(C)CC(=O)N1CC[N+](C)(C)CC1
• InChI: InChI=1S/C12H25N2O.2C12H24N2O.C11H23N2O.C11H22N2O.C10H20N2O.2C10H19NO.2CH4/c1-10(2)11(3)12(15)13-6-8-14(4,5)9-7-13;1-10(2)9-12(15)14-7-5-11(6-8-14)13(3)4;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-10(2)9-11(14)12-5-7-13(3,4)8-6-12;1-9(2)10(3)11(14)13-7-5-12(4)6-8-13;1-9(2)8-10(13)12-6-4-11(3)5-7-12;2*1-9(2)8-10(12)11-6-4-3-5-7-11;;/h10-11H,6-9H2,1-5H3;2*10-11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9H,4-8H2,1-3H3;2*9H,3-8H2,1-2H3;2*1H4/q+1;;;+1
• InChIKey: WDMFAEXZXZWWJT-UHFFFAOYSA-N
• XLogP: 12.54
• TPSA: 175.44 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1590.55
LogP ≤ 5	12.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?

The IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one (CID 161474083) is 1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one.

What is the SMILES notation for 1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?

The canonical SMILES for 1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one is C.C.CC(C)C(C)C(=O)N1CCN(C)CC1.CC(C)C(C)C(=O)N1CC[N+](C)(C)CC1.CC(C)CC(=O)N1CCC(N(C)C)CC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCN(C)CC1.CC(C)CC(=O)N1CC[N+](C)(C)CC1.

What is the InChIKey of 1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?

The InChIKey is WDMFAEXZXZWWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N2O.2C12H24N2O.C11H23N2O.C11H22N2O.C10H20N2O.2C10H19NO.2CH4/c1-10(2)11(3)12(15)13-6-8-14(4,5)9-7-13;1-10(2)9-12(15)14-7-5-11(6-8-14)13(3)4;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-10(2)9-11(14)12-5-7-13(3,4)8-6-12;1-9(2)10(3)11(14)13-7-5-12(4)6-8-13;1-9(2)8-10(13)12-6-4-11(3)5-7-12;2*1-9(2)8-10(12)11-6-4-3-5-7-11;;/h10-11H,6-9H2,1-5H3;2*10-11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9H,4-8H2,1-3H3;2*9H,3-8H2,1-2H3;2*1H4/q+1;;;+1;;;;;;.

What are the key properties of 1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?

1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one has a molecular weight of 1590.55 g/mol, XLogP of 12.54, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-2,3-dimethylbutan-1-one;1-(4,4-dimethylpiperazin-4-ium-1-yl)-3-methylbutan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 161474083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).