potassium;ethane;1-methylpiperidin-4-ide;4-methylpiperidin-1-ide;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine

C52H114KN6- — CID 156707582

About potassium;ethane;1-methylpiperidin-4-ide;4-methylpiperidin-1-ide;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine

potassium;ethane;1-methylpiperidin-4-ide;4-methylpiperidin-1-ide;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine (PubChem CID 156707582) has the molecular formula C52H114KN6- and a molecular weight of 862.62 g/mol. Its IUPAC name is potassium;ethane;1-methylpiperidin-4-ide;4-methylpiperidin-1-ide;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine.

Molecular Properties

• Compound Name: potassium;ethane;1-methylpiperidin-4-ide;4-methylpiperidin-1-ide;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
• PubChem CID: 156707582
• Molecular Formula: C52H114KN6-
• Molecular Weight: 862.62 g/mol
• Exact Mass: 861.87
• IUPAC Name: potassium;ethane;1-methylpiperidin-4-ide;4-methylpiperidin-1-ide;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
• SMILES: CC.CC.CC.CC.CC.CC(C)N1CCC(CC2CCN(C)CC2)CC1.CC1CCN(CC2CCN(C(C)C)CC2)CC1.CC1CC[N-]CC1.CN1CC[CH-]CC1.[K+]
• InChI: InChI=1S/2C15H30N2.2C6H12N.5C2H6.K/c1-13(2)17-10-6-15(7-11-17)12-14-4-8-16(3)9-5-14;1-13(2)17-10-6-15(7-11-17)12-16-8-4-14(3)5-9-16;1-6-2-4-7-5-3-6;1-7-5-3-2-4-6-7;5*1-2;/h2*13-15H,4-12H2,1-3H3;6H,2-5H2,1H3;2H,3-6H2,1H3;5*1-2H3;/q;;2*-1;;;;;;+1
• InChIKey: ZNKRPGNGDATLCU-UHFFFAOYSA-N
• XLogP: 10.52
• TPSA: 30.30 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.62
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;ethane;1-methylpiperidin-4-ide;4-methylpiperidin-1-ide;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?

The IUPAC name of potassium;ethane;1-methylpiperidin-4-ide;4-methylpiperidin-1-ide;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine (CID 156707582) is potassium;ethane;1-methylpiperidin-4-ide;4-methylpiperidin-1-ide;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine.

What is the SMILES notation for potassium;ethane;1-methylpiperidin-4-ide;4-methylpiperidin-1-ide;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?

The canonical SMILES for potassium;ethane;1-methylpiperidin-4-ide;4-methylpiperidin-1-ide;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine is CC.CC.CC.CC.CC.CC(C)N1CCC(CC2CCN(C)CC2)CC1.CC1CCN(CC2CCN(C(C)C)CC2)CC1.CC1CC[N-]CC1.CN1CC[CH-]CC1.[K+].

What is the InChIKey of potassium;ethane;1-methylpiperidin-4-ide;4-methylpiperidin-1-ide;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?

The InChIKey is ZNKRPGNGDATLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H30N2.2C6H12N.5C2H6.K/c1-13(2)17-10-6-15(7-11-17)12-14-4-8-16(3)9-5-14;1-13(2)17-10-6-15(7-11-17)12-16-8-4-14(3)5-9-16;1-6-2-4-7-5-3-6;1-7-5-3-2-4-6-7;5*1-2;/h2*13-15H,4-12H2,1-3H3;6H,2-5H2,1H3;2H,3-6H2,1H3;5*1-2H3;/q;;2*-1;;;;;;+1.

What are the key properties of potassium;ethane;1-methylpiperidin-4-ide;4-methylpiperidin-1-ide;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?

potassium;ethane;1-methylpiperidin-4-ide;4-methylpiperidin-1-ide;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine has a molecular weight of 862.62 g/mol, XLogP of 10.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;ethane;1-methylpiperidin-4-ide;4-methylpiperidin-1-ide;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine is sourced from PubChem (CID 156707582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).