2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine

C₁₅H₃₀N₂O — CID 118673804

About 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine

2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine (PubChem CID 118673804) has the molecular formula C₁₅H₃₀N₂O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine.

Molecular Properties

• Compound Name: 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine
• PubChem CID: 118673804
• Molecular Formula: C₁₅H₃₀N₂O
• Molecular Weight: 256.43 g/mol
• Exact Mass: 256.24
• IUPAC Name: 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine
• SMILES: [3H]N1CC(C)OC(CCN2CC(C)CC(CC)C2)C1
• InChI: InChI=1S/C15H30N2O/c1-4-14-7-12(2)10-17(11-14)6-5-15-9-16-8-13(3)18-15/h12-16H,4-11H2,1-3H3/i/hT
• InChIKey: QXUHDKLPTARDJO-MNYXATJNSA-N
• XLogP: 2.12
• TPSA: 24.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	256.43
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine?

The IUPAC name of 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine (CID 118673804) is 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine.

What is the SMILES notation for 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine?

The canonical SMILES for 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine is [3H]N1CC(C)OC(CCN2CC(C)CC(CC)C2)C1.

What is the InChIKey of 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine?

The InChIKey is QXUHDKLPTARDJO-MNYXATJNSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-14-7-12(2)10-17(11-14)6-5-15-9-16-8-13(3)18-15/h12-16H,4-11H2,1-3H3/i/hT.

What are the key properties of 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine?

2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine has a molecular weight of 256.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine is sourced from PubChem (CID 118673804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118673804 — identifiers, structure, computed properties (public domain)

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