1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;hexakis(yttrium)

C126H204N6O6Y6+6 — CID 158669202

About 1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;hexakis(yttrium)

1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;hexakis(yttrium) (PubChem CID 158669202) has the molecular formula C126H204N6O6Y6+6 and a molecular weight of 2432.49 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;hexakis(yttrium).

Molecular Properties

• Compound Name: 1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;hexakis(yttrium)
• PubChem CID: 158669202
• Molecular Formula: C126H204N6O6Y6+6
• Molecular Weight: 2432.49 g/mol
• Exact Mass: 2431.02
• IUPAC Name: 1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;hexakis(yttrium)
• SMILES: CCCC(C(=O)Cc1c(C)cccc1C)[N+]1(CC)CCCCC1.CCC[C@@H](C(=O)Cc1c(C)cccc1C)[N+]1(CC)CCCCC1.CCC[C@H](C(=O)Cc1c(C)cccc1C)[N+]1(CC)CCCCC1.CCC[N+]1(C(CC)C(=O)Cc2c(C)cccc2C)CCCCC1.CCC[N+]1([C@@H](CC)C(=O)Cc2c(C)cccc2C)CCCCC1.CCC[N+]1([C@H](CC)C(=O)Cc2c(C)cccc2C)CCCCC1.[Y].[Y].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/6C21H34NO.6Y/c3*1-5-13-22(14-8-7-9-15-22)20(6-2)21(23)16-19-17(3)11-10-12-18(19)4;3*1-5-11-20(22(6-2)14-8-7-9-15-22)21(23)16-19-17(3)12-10-13-18(19)4;;;;;;/h3*10-12,20H,5-9,13-16H2,1-4H3;3*10,12-13,20H,5-9,11,14-16H2,1-4H3;;;;;;/q6*+1;;;;;;/t2*20-;;2*20-;;;;;;;/m10.10......./s1
• InChIKey: NVYJEDBOBIPSAX-VIPWNEJQSA-N
• XLogP: 27.61
• TPSA: 102.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 42
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2432.49
LogP ≤ 5	27.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;hexakis(yttrium)?

The IUPAC name of 1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;hexakis(yttrium) (CID 158669202) is 1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;hexakis(yttrium).

What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;hexakis(yttrium)?

The canonical SMILES for 1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;hexakis(yttrium) is CCCC(C(=O)Cc1c(C)cccc1C)[N+]1(CC)CCCCC1.CCC[C@@H](C(=O)Cc1c(C)cccc1C)[N+]1(CC)CCCCC1.CCC[C@H](C(=O)Cc1c(C)cccc1C)[N+]1(CC)CCCCC1.CCC[N+]1(C(CC)C(=O)Cc2c(C)cccc2C)CCCCC1.CCC[N+]1([C@@H](CC)C(=O)Cc2c(C)cccc2C)CCCCC1.CCC[N+]1([C@H](CC)C(=O)Cc2c(C)cccc2C)CCCCC1.[Y].[Y].[Y].[Y].[Y].[Y].

What is the InChIKey of 1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;hexakis(yttrium)?

The InChIKey is NVYJEDBOBIPSAX-VIPWNEJQSA-N. The full InChI is InChI=1S/6C21H34NO.6Y/c3*1-5-13-22(14-8-7-9-15-22)20(6-2)21(23)16-19-17(3)11-10-12-18(19)4;3*1-5-11-20(22(6-2)14-8-7-9-15-22)21(23)16-19-17(3)12-10-13-18(19)4;;;;;;/h3*10-12,20H,5-9,13-16H2,1-4H3;3*10,12-13,20H,5-9,11,14-16H2,1-4H3;;;;;;/q6*+1;;;;;;/t2*20-;;2*20-;;;;;;;/m10.10......./s1.

What are the key properties of 1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;hexakis(yttrium)?

1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;hexakis(yttrium) has a molecular weight of 2432.49 g/mol, XLogP of 27.61, 42 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)hexan-2-one;1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3S)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;(3R)-1-(2,6-dimethylphenyl)-3-(1-propylpiperidin-1-ium-1-yl)pentan-2-one;hexakis(yttrium) is sourced from PubChem (CID 158669202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).