1,2,2,4,4,6,6-heptamethyl-1-propan-2-ylpiperidin-1-ium;methane;1-methyl-1-propan-2-ylazepan-1-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1,2,2,6,6-pentamethyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-1-azoniabicyclo[2.2.1]heptane;1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethyl-1-propan-2-ylazepan-1-ium;1,4,4-trimethyl-1-propan-2-ylpiperidin-1-ium;1,2,2,3,3,4,4,5,5,6,6-undecamethyl-1-propan-2-ylpiperidin-1-ium

C111H242N8+8 — CID 164959677

About 1,2,2,4,4,6,6-heptamethyl-1-propan-2-ylpiperidin-1-ium;methane;1-methyl-1-propan-2-ylazepan-1-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1,2,2,6,6-pentamethyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-1-azoniabicyclo[2.2.1]heptane;1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethyl-1-propan-2-ylazepan-1-ium;1,4,4-trimethyl-1-propan-2-ylpiperidin-1-ium;1,2,2,3,3,4,4,5,5,6,6-undecamethyl-1-propan-2-ylpiperidin-1-ium

1,2,2,4,4,6,6-heptamethyl-1-propan-2-ylpiperidin-1-ium;methane;1-methyl-1-propan-2-ylazepan-1-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1,2,2,6,6-pentamethyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-1-azoniabicyclo[2.2.1]heptane;1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethyl-1-propan-2-ylazepan-1-ium;1,4,4-trimethyl-1-propan-2-ylpiperidin-1-ium;1,2,2,3,3,4,4,5,5,6,6-undecamethyl-1-propan-2-ylpiperidin-1-ium (PubChem CID 164959677) has the molecular formula C111H242N8+8 and a molecular weight of 1689.21 g/mol. Its IUPAC name is 1,2,2,4,4,6,6-heptamethyl-1-propan-2-ylpiperidin-1-ium;methane;1-methyl-1-propan-2-ylazepan-1-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1,2,2,6,6-pentamethyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-1-azoniabicyclo[2.2.1]heptane;1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethyl-1-propan-2-ylazepan-1-ium;1,4,4-trimethyl-1-propan-2-ylpiperidin-1-ium;1,2,2,3,3,4,4,5,5,6,6-undecamethyl-1-propan-2-ylpiperidin-1-ium.

Molecular Properties

• Compound Name: 1,2,2,4,4,6,6-heptamethyl-1-propan-2-ylpiperidin-1-ium;methane;1-methyl-1-propan-2-ylazepan-1-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1,2,2,6,6-pentamethyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-1-azoniabicyclo[2.2.1]heptane;1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethyl-1-propan-2-ylazepan-1-ium;1,4,4-trimethyl-1-propan-2-ylpiperidin-1-ium;1,2,2,3,3,4,4,5,5,6,6-undecamethyl-1-propan-2-ylpiperidin-1-ium
• PubChem CID: 164959677
• Molecular Formula: C111H242N8+8
• Molecular Weight: 1689.21 g/mol
• Exact Mass: 1687.91
• IUPAC Name: 1,2,2,4,4,6,6-heptamethyl-1-propan-2-ylpiperidin-1-ium;methane;1-methyl-1-propan-2-ylazepan-1-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1,2,2,6,6-pentamethyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-1-azoniabicyclo[2.2.1]heptane;1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethyl-1-propan-2-ylazepan-1-ium;1,4,4-trimethyl-1-propan-2-ylpiperidin-1-ium;1,2,2,3,3,4,4,5,5,6,6-undecamethyl-1-propan-2-ylpiperidin-1-ium
• SMILES: C.C.C.CC(C)[N+]1(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C.CC(C)[N+]1(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C.CC(C)[N+]1(C)C(C)(C)CC(C)(C)CC1(C)C.CC(C)[N+]1(C)C(C)(C)CCCC1(C)C.CC(C)[N+]1(C)CCC(C)(C)CC1.CC(C)[N+]1(C)CCCCC1.CC(C)[N+]1(C)CCCCCC1.CC(C)[N+]12CCC(CC1)C2
• InChI: InChI=1S/C22H46N.C19H40N.C15H32N.C13H28N.C11H24N.C10H22N.C9H18N.C9H20N.3CH4/c1-16(2)23(15)21(11,12)19(7,8)17(3,4)18(5,6)20(9,10)22(23,13)14;1-14(2)20(13)18(9,10)16(5,6)15(3,4)17(7,8)19(20,11)12;1-12(2)16(9)14(5,6)10-13(3,4)11-15(16,7)8;1-11(2)14(7)12(3,4)9-8-10-13(14,5)6;1-10(2)12(5)8-6-11(3,4)7-9-12;1-10(2)11(3)8-6-4-5-7-9-11;1-8(2)10-5-3-9(7-10)4-6-10;1-9(2)10(3)7-5-4-6-8-10;;;/h16H,1-15H3;14H,1-13H3;12H,10-11H2,1-9H3;11H,8-10H2,1-7H3;10H,6-9H2,1-5H3;10H,4-9H2,1-3H3;8-9H,3-7H2,1-2H3;9H,4-8H2,1-3H3;3*1H4/q8*+1
• InChIKey: BQXQKNBYDNJWFM-UHFFFAOYSA-N
• XLogP: 30.45
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1689.21
LogP ≤ 5	30.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,2,4,4,6,6-heptamethyl-1-propan-2-ylpiperidin-1-ium;methane;1-methyl-1-propan-2-ylazepan-1-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1,2,2,6,6-pentamethyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-1-azoniabicyclo[2.2.1]heptane;1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethyl-1-propan-2-ylazepan-1-ium;1,4,4-trimethyl-1-propan-2-ylpiperidin-1-ium;1,2,2,3,3,4,4,5,5,6,6-undecamethyl-1-propan-2-ylpiperidin-1-ium?

The IUPAC name of 1,2,2,4,4,6,6-heptamethyl-1-propan-2-ylpiperidin-1-ium;methane;1-methyl-1-propan-2-ylazepan-1-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1,2,2,6,6-pentamethyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-1-azoniabicyclo[2.2.1]heptane;1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethyl-1-propan-2-ylazepan-1-ium;1,4,4-trimethyl-1-propan-2-ylpiperidin-1-ium;1,2,2,3,3,4,4,5,5,6,6-undecamethyl-1-propan-2-ylpiperidin-1-ium (CID 164959677) is 1,2,2,4,4,6,6-heptamethyl-1-propan-2-ylpiperidin-1-ium;methane;1-methyl-1-propan-2-ylazepan-1-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1,2,2,6,6-pentamethyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-1-azoniabicyclo[2.2.1]heptane;1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethyl-1-propan-2-ylazepan-1-ium;1,4,4-trimethyl-1-propan-2-ylpiperidin-1-ium;1,2,2,3,3,4,4,5,5,6,6-undecamethyl-1-propan-2-ylpiperidin-1-ium.

What is the SMILES notation for 1,2,2,4,4,6,6-heptamethyl-1-propan-2-ylpiperidin-1-ium;methane;1-methyl-1-propan-2-ylazepan-1-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1,2,2,6,6-pentamethyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-1-azoniabicyclo[2.2.1]heptane;1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethyl-1-propan-2-ylazepan-1-ium;1,4,4-trimethyl-1-propan-2-ylpiperidin-1-ium;1,2,2,3,3,4,4,5,5,6,6-undecamethyl-1-propan-2-ylpiperidin-1-ium?

The canonical SMILES for 1,2,2,4,4,6,6-heptamethyl-1-propan-2-ylpiperidin-1-ium;methane;1-methyl-1-propan-2-ylazepan-1-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1,2,2,6,6-pentamethyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-1-azoniabicyclo[2.2.1]heptane;1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethyl-1-propan-2-ylazepan-1-ium;1,4,4-trimethyl-1-propan-2-ylpiperidin-1-ium;1,2,2,3,3,4,4,5,5,6,6-undecamethyl-1-propan-2-ylpiperidin-1-ium is C.C.C.CC(C)[N+]1(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C.CC(C)[N+]1(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C.CC(C)[N+]1(C)C(C)(C)CC(C)(C)CC1(C)C.CC(C)[N+]1(C)C(C)(C)CCCC1(C)C.CC(C)[N+]1(C)CCC(C)(C)CC1.CC(C)[N+]1(C)CCCCC1.CC(C)[N+]1(C)CCCCCC1.CC(C)[N+]12CCC(CC1)C2.

What is the InChIKey of 1,2,2,4,4,6,6-heptamethyl-1-propan-2-ylpiperidin-1-ium;methane;1-methyl-1-propan-2-ylazepan-1-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1,2,2,6,6-pentamethyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-1-azoniabicyclo[2.2.1]heptane;1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethyl-1-propan-2-ylazepan-1-ium;1,4,4-trimethyl-1-propan-2-ylpiperidin-1-ium;1,2,2,3,3,4,4,5,5,6,6-undecamethyl-1-propan-2-ylpiperidin-1-ium?

The InChIKey is BQXQKNBYDNJWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N.C19H40N.C15H32N.C13H28N.C11H24N.C10H22N.C9H18N.C9H20N.3CH4/c1-16(2)23(15)21(11,12)19(7,8)17(3,4)18(5,6)20(9,10)22(23,13)14;1-14(2)20(13)18(9,10)16(5,6)15(3,4)17(7,8)19(20,11)12;1-12(2)16(9)14(5,6)10-13(3,4)11-15(16,7)8;1-11(2)14(7)12(3,4)9-8-10-13(14,5)6;1-10(2)12(5)8-6-11(3,4)7-9-12;1-10(2)11(3)8-6-4-5-7-9-11;1-8(2)10-5-3-9(7-10)4-6-10;1-9(2)10(3)7-5-4-6-8-10;;;/h16H,1-15H3;14H,1-13H3;12H,10-11H2,1-9H3;11H,8-10H2,1-7H3;10H,6-9H2,1-5H3;10H,4-9H2,1-3H3;8-9H,3-7H2,1-2H3;9H,4-8H2,1-3H3;3*1H4/q8*+1;;;.

What are the key properties of 1,2,2,4,4,6,6-heptamethyl-1-propan-2-ylpiperidin-1-ium;methane;1-methyl-1-propan-2-ylazepan-1-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1,2,2,6,6-pentamethyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-1-azoniabicyclo[2.2.1]heptane;1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethyl-1-propan-2-ylazepan-1-ium;1,4,4-trimethyl-1-propan-2-ylpiperidin-1-ium;1,2,2,3,3,4,4,5,5,6,6-undecamethyl-1-propan-2-ylpiperidin-1-ium?

1,2,2,4,4,6,6-heptamethyl-1-propan-2-ylpiperidin-1-ium;methane;1-methyl-1-propan-2-ylazepan-1-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1,2,2,6,6-pentamethyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-1-azoniabicyclo[2.2.1]heptane;1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethyl-1-propan-2-ylazepan-1-ium;1,4,4-trimethyl-1-propan-2-ylpiperidin-1-ium;1,2,2,3,3,4,4,5,5,6,6-undecamethyl-1-propan-2-ylpiperidin-1-ium has a molecular weight of 1689.21 g/mol, XLogP of 30.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,2,4,4,6,6-heptamethyl-1-propan-2-ylpiperidin-1-ium;methane;1-methyl-1-propan-2-ylazepan-1-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1,2,2,6,6-pentamethyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-1-azoniabicyclo[2.2.1]heptane;1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethyl-1-propan-2-ylazepan-1-ium;1,4,4-trimethyl-1-propan-2-ylpiperidin-1-ium;1,2,2,3,3,4,4,5,5,6,6-undecamethyl-1-propan-2-ylpiperidin-1-ium is sourced from PubChem (CID 164959677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).