1,1-dimethyl-4-propan-2-ylpiperidin-1-ium;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yl-4-(1,1,1-trifluoropropan-2-yl)piperazine

C56H117F3N9+ — CID 159205583

About 1,1-dimethyl-4-propan-2-ylpiperidin-1-ium;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yl-4-(1,1,1-trifluoropropan-2-yl)piperazine

1,1-dimethyl-4-propan-2-ylpiperidin-1-ium;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yl-4-(1,1,1-trifluoropropan-2-yl)piperazine (PubChem CID 159205583) has the molecular formula C56H117F3N9+ and a molecular weight of 973.61 g/mol. Its IUPAC name is 1,1-dimethyl-4-propan-2-ylpiperidin-1-ium;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yl-4-(1,1,1-trifluoropropan-2-yl)piperazine.

Molecular Properties

• Compound Name: 1,1-dimethyl-4-propan-2-ylpiperidin-1-ium;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yl-4-(1,1,1-trifluoropropan-2-yl)piperazine
• PubChem CID: 159205583
• Molecular Formula: C56H117F3N9+
• Molecular Weight: 973.61 g/mol
• Exact Mass: 972.94
• IUPAC Name: 1,1-dimethyl-4-propan-2-ylpiperidin-1-ium;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yl-4-(1,1,1-trifluoropropan-2-yl)piperazine
• SMILES: CC(C)C1=CCN(C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CC[N+](C)(C)CC1.CC(C)N1CCN(C(C)C(F)(F)F)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1
• InChI: InChI=1S/C10H19F3N2.C10H22N2.C10H22N.C9H19N.C9H17N.C8H18N2/c1-8(2)14-4-6-15(7-5-14)9(3)10(11,12)13;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)10-5-7-11(3,4)8-6-10;2*1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10/h8-9H,4-7H2,1-3H3;9-10H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;4,8H,5-7H2,1-3H3;8H,4-7H2,1-3H3/q;;+1
• InChIKey: KPVKULAHKBWNNK-UHFFFAOYSA-N
• XLogP: 10.04
• TPSA: 25.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	973.61
LogP ≤ 5	10.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4-propan-2-ylpiperidin-1-ium;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yl-4-(1,1,1-trifluoropropan-2-yl)piperazine?

The IUPAC name of 1,1-dimethyl-4-propan-2-ylpiperidin-1-ium;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yl-4-(1,1,1-trifluoropropan-2-yl)piperazine (CID 159205583) is 1,1-dimethyl-4-propan-2-ylpiperidin-1-ium;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yl-4-(1,1,1-trifluoropropan-2-yl)piperazine.

What is the SMILES notation for 1,1-dimethyl-4-propan-2-ylpiperidin-1-ium;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yl-4-(1,1,1-trifluoropropan-2-yl)piperazine?

The canonical SMILES for 1,1-dimethyl-4-propan-2-ylpiperidin-1-ium;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yl-4-(1,1,1-trifluoropropan-2-yl)piperazine is CC(C)C1=CCN(C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CC[N+](C)(C)CC1.CC(C)N1CCN(C(C)C(F)(F)F)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.

What is the InChIKey of 1,1-dimethyl-4-propan-2-ylpiperidin-1-ium;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yl-4-(1,1,1-trifluoropropan-2-yl)piperazine?

The InChIKey is KPVKULAHKBWNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2.C10H22N2.C10H22N.C9H19N.C9H17N.C8H18N2/c1-8(2)14-4-6-15(7-5-14)9(3)10(11,12)13;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)10-5-7-11(3,4)8-6-10;2*1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10/h8-9H,4-7H2,1-3H3;9-10H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;4,8H,5-7H2,1-3H3;8H,4-7H2,1-3H3/q;;+1;;;.

What are the key properties of 1,1-dimethyl-4-propan-2-ylpiperidin-1-ium;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yl-4-(1,1,1-trifluoropropan-2-yl)piperazine?

1,1-dimethyl-4-propan-2-ylpiperidin-1-ium;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yl-4-(1,1,1-trifluoropropan-2-yl)piperazine has a molecular weight of 973.61 g/mol, XLogP of 10.04, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dimethyl-4-propan-2-ylpiperidin-1-ium;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yl-4-(1,1,1-trifluoropropan-2-yl)piperazine is sourced from PubChem (CID 159205583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).