2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine

C₂₁H₄₁N₃ — CID 91321858

About 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine

2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine (PubChem CID 91321858) has the molecular formula C₂₁H₄₁N₃ and a molecular weight of 335.58 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine.

Molecular Properties

• Compound Name: 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine
• PubChem CID: 91321858
• Molecular Formula: C₂₁H₄₁N₃
• Molecular Weight: 335.58 g/mol
• Exact Mass: 335.33
• IUPAC Name: 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine
• SMILES: CCN1CCC(C2(C3CCN(C(C)C)CC3)CCCCN2C)CC1
• InChI: InChI=1S/C21H41N3/c1-5-23-14-8-19(9-15-23)21(12-6-7-13-22(21)4)20-10-16-24(17-11-20)18(2)3/h18-20H,5-17H2,1-4H3
• InChIKey: QQNMDALOSMHJAF-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.58
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine?

The IUPAC name of 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine (CID 91321858) is 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine.

What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine?

The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine is CCN1CCC(C2(C3CCN(C(C)C)CC3)CCCCN2C)CC1.

What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine?

The InChIKey is QQNMDALOSMHJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3/c1-5-23-14-8-19(9-15-23)21(12-6-7-13-22(21)4)20-10-16-24(17-11-20)18(2)3/h18-20H,5-17H2,1-4H3.

What are the key properties of 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine?

2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine has a molecular weight of 335.58 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine is sourced from PubChem (CID 91321858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91321858 — identifiers, structure, computed properties (public domain)

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