1,2-dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium

C74H162N7+7 — CID 158191215

About 1,2-dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium

1,2-dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium (PubChem CID 158191215) has the molecular formula C74H162N7+7 and a molecular weight of 1150.16 g/mol. Its IUPAC name is 1,2-dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium.

Molecular Properties

• Compound Name: 1,2-dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium
• PubChem CID: 158191215
• Molecular Formula: C74H162N7+7
• Molecular Weight: 1150.16 g/mol
• Exact Mass: 1149.29
• IUPAC Name: 1,2-dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium
• SMILES: CCC[N+]1(C)C(C)CCCC1C.CCC[N+]1(C)CCC(C)C(C)C1.CCC[N+]1(C)CCC(C)CC1.CCC[N+]1(C)CCC(C)CC1C.CCC[N+]1(C)CCCC(C)C1.CCC[N+]1(C)CCCC(C)C1C.CCC[N+]1(C)CCCCC1C
• InChI: InChI=1S/4C11H24N.3C10H22N/c1-5-9-12(4)10(2)7-6-8-11(12)3;1-5-8-12(4)9-6-7-10(2)11(12)3;1-5-7-12(4)8-6-10(2)11(3)9-12;1-5-7-12(4)8-6-10(2)9-11(12)3;1-4-7-11(3)8-5-10(2)6-9-11;1-4-8-11(3)9-6-5-7-10(11)2;1-4-7-11(3)8-5-6-10(2)9-11/h4*10-11H,5-9H2,1-4H3;3*10H,4-9H2,1-3H3/q7*+1
• InChIKey: FZTTZKMNHPIGFI-UHFFFAOYSA-N
• XLogP: 17.61
• TPSA: 0.00 Ų
• Rotatable Bonds: 14
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1150.16
LogP ≤ 5	17.61
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-dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium?

The IUPAC name of 1,2-dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium (CID 158191215) is 1,2-dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium.

What is the SMILES notation for 1,2-dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium?

The canonical SMILES for 1,2-dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium is CCC[N+]1(C)C(C)CCCC1C.CCC[N+]1(C)CCC(C)C(C)C1.CCC[N+]1(C)CCC(C)CC1.CCC[N+]1(C)CCC(C)CC1C.CCC[N+]1(C)CCCC(C)C1.CCC[N+]1(C)CCCC(C)C1C.CCC[N+]1(C)CCCCC1C.

What is the InChIKey of 1,2-dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium?

The InChIKey is FZTTZKMNHPIGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H24N.3C10H22N/c1-5-9-12(4)10(2)7-6-8-11(12)3;1-5-8-12(4)9-6-7-10(2)11(12)3;1-5-7-12(4)8-6-10(2)11(3)9-12;1-5-7-12(4)8-6-10(2)9-11(12)3;1-4-7-11(3)8-5-10(2)6-9-11;1-4-8-11(3)9-6-5-7-10(11)2;1-4-7-11(3)8-5-6-10(2)9-11/h4*10-11H,5-9H2,1-4H3;3*10H,4-9H2,1-3H3/q7*+1.

What are the key properties of 1,2-dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium?

1,2-dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium has a molecular weight of 1150.16 g/mol, XLogP of 17.61, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium is sourced from PubChem (CID 158191215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).