1-(4-butyl-4-methylpiperazin-4-ium-1-yl)ethanone;1-(1-butyl-1-methylpiperidin-1-ium-4-yl)ethanone;1-(4-butylpiperazin-1-yl)ethanone;1-(1-butylpiperidin-4-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

C63H124N10O6+2 — CID 161007172

About 1-(4-butyl-4-methylpiperazin-4-ium-1-yl)ethanone;1-(1-butyl-1-methylpiperidin-1-ium-4-yl)ethanone;1-(4-butylpiperazin-1-yl)ethanone;1-(1-butylpiperidin-4-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

1-(4-butyl-4-methylpiperazin-4-ium-1-yl)ethanone;1-(1-butyl-1-methylpiperidin-1-ium-4-yl)ethanone;1-(4-butylpiperazin-1-yl)ethanone;1-(1-butylpiperidin-4-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 161007172) has the molecular formula C63H124N10O6+2 and a molecular weight of 1117.75 g/mol. Its IUPAC name is 1-(4-butyl-4-methylpiperazin-4-ium-1-yl)ethanone;1-(1-butyl-1-methylpiperidin-1-ium-4-yl)ethanone;1-(4-butylpiperazin-1-yl)ethanone;1-(1-butylpiperidin-4-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

• Compound Name: 1-(4-butyl-4-methylpiperazin-4-ium-1-yl)ethanone;1-(1-butyl-1-methylpiperidin-1-ium-4-yl)ethanone;1-(4-butylpiperazin-1-yl)ethanone;1-(1-butylpiperidin-4-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
• PubChem CID: 161007172
• Molecular Formula: C63H124N10O6+2
• Molecular Weight: 1117.75 g/mol
• Exact Mass: 1116.97
• IUPAC Name: 1-(4-butyl-4-methylpiperazin-4-ium-1-yl)ethanone;1-(1-butyl-1-methylpiperidin-1-ium-4-yl)ethanone;1-(4-butylpiperazin-1-yl)ethanone;1-(1-butylpiperidin-4-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
• SMILES: CC(=O)N1CCC(N2CCCCC2)CC1.CC(=O)N1CCN(C)CC1.CCCCN1CCC(C(C)=O)CC1.CCCCN1CCN(C(C)=O)CC1.CCCC[N+]1(C)CCC(C(C)=O)CC1.CCCC[N+]1(C)CCN(C(C)=O)CC1
• InChI: InChI=1S/C12H22N2O.C12H24NO.C11H23N2O.C11H21NO.C10H20N2O.C7H14N2O/c1-11(15)13-9-5-12(6-10-13)14-7-3-2-4-8-14;2*1-4-5-8-13(3)9-6-12(7-10-13)11(2)14;1-3-4-7-12-8-5-11(6-9-12)10(2)13;1-3-4-5-11-6-8-12(9-7-11)10(2)13;1-7(10)9-5-3-8(2)4-6-9/h12H,2-10H2,1H3;12H,4-10H2,1-3H3;4-10H2,1-3H3;11H,3-9H2,1-2H3;3-9H2,1-2H3;3-6H2,1-2H3/q;2*+1
• InChIKey: JRBOCDMDSLMIIW-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 128.34 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1117.75
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-butyl-4-methylpiperazin-4-ium-1-yl)ethanone;1-(1-butyl-1-methylpiperidin-1-ium-4-yl)ethanone;1-(4-butylpiperazin-1-yl)ethanone;1-(1-butylpiperidin-4-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?

The IUPAC name of 1-(4-butyl-4-methylpiperazin-4-ium-1-yl)ethanone;1-(1-butyl-1-methylpiperidin-1-ium-4-yl)ethanone;1-(4-butylpiperazin-1-yl)ethanone;1-(1-butylpiperidin-4-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 161007172) is 1-(4-butyl-4-methylpiperazin-4-ium-1-yl)ethanone;1-(1-butyl-1-methylpiperidin-1-ium-4-yl)ethanone;1-(4-butylpiperazin-1-yl)ethanone;1-(1-butylpiperidin-4-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

What is the SMILES notation for 1-(4-butyl-4-methylpiperazin-4-ium-1-yl)ethanone;1-(1-butyl-1-methylpiperidin-1-ium-4-yl)ethanone;1-(4-butylpiperazin-1-yl)ethanone;1-(1-butylpiperidin-4-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?

The canonical SMILES for 1-(4-butyl-4-methylpiperazin-4-ium-1-yl)ethanone;1-(1-butyl-1-methylpiperidin-1-ium-4-yl)ethanone;1-(4-butylpiperazin-1-yl)ethanone;1-(1-butylpiperidin-4-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is CC(=O)N1CCC(N2CCCCC2)CC1.CC(=O)N1CCN(C)CC1.CCCCN1CCC(C(C)=O)CC1.CCCCN1CCN(C(C)=O)CC1.CCCC[N+]1(C)CCC(C(C)=O)CC1.CCCC[N+]1(C)CCN(C(C)=O)CC1.

What is the InChIKey of 1-(4-butyl-4-methylpiperazin-4-ium-1-yl)ethanone;1-(1-butyl-1-methylpiperidin-1-ium-4-yl)ethanone;1-(4-butylpiperazin-1-yl)ethanone;1-(1-butylpiperidin-4-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?

The InChIKey is JRBOCDMDSLMIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.C12H24NO.C11H23N2O.C11H21NO.C10H20N2O.C7H14N2O/c1-11(15)13-9-5-12(6-10-13)14-7-3-2-4-8-14;2*1-4-5-8-13(3)9-6-12(7-10-13)11(2)14;1-3-4-7-12-8-5-11(6-9-12)10(2)13;1-3-4-5-11-6-8-12(9-7-11)10(2)13;1-7(10)9-5-3-8(2)4-6-9/h12H,2-10H2,1H3;12H,4-10H2,1-3H3;4-10H2,1-3H3;11H,3-9H2,1-2H3;3-9H2,1-2H3;3-6H2,1-2H3/q;2*+1;;;.

What are the key properties of 1-(4-butyl-4-methylpiperazin-4-ium-1-yl)ethanone;1-(1-butyl-1-methylpiperidin-1-ium-4-yl)ethanone;1-(4-butylpiperazin-1-yl)ethanone;1-(1-butylpiperidin-4-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?

1-(4-butyl-4-methylpiperazin-4-ium-1-yl)ethanone;1-(1-butyl-1-methylpiperidin-1-ium-4-yl)ethanone;1-(4-butylpiperazin-1-yl)ethanone;1-(1-butylpiperidin-4-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 1117.75 g/mol, XLogP of 7.63, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-butyl-4-methylpiperazin-4-ium-1-yl)ethanone;1-(1-butyl-1-methylpiperidin-1-ium-4-yl)ethanone;1-(4-butylpiperazin-1-yl)ethanone;1-(1-butylpiperidin-4-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 161007172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).