1-(4,4-dimethylpiperidin-3-yl)-4-methylpiperazine

C₁₂H₂₅N₃ — CID 117025957

About 1-(4,4-dimethylpiperidin-3-yl)-4-methylpiperazine

1-(4,4-dimethylpiperidin-3-yl)-4-methylpiperazine (PubChem CID 117025957) has the molecular formula C₁₂H₂₅N₃ and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-3-yl)-4-methylpiperazine.

Molecular Properties

• Compound Name: 1-(4,4-dimethylpiperidin-3-yl)-4-methylpiperazine
• PubChem CID: 117025957
• Molecular Formula: C₁₂H₂₅N₃
• Molecular Weight: 211.35 g/mol
• Exact Mass: 211.20
• IUPAC Name: 1-(4,4-dimethylpiperidin-3-yl)-4-methylpiperazine
• SMILES: CN1CCN(C2CNCCC2(C)C)CC1
• InChI: InChI=1S/C12H25N3/c1-12(2)4-5-13-10-11(12)15-8-6-14(3)7-9-15/h11,13H,4-10H2,1-3H3
• InChIKey: MQISCAYNCXIAMJ-UHFFFAOYSA-N
• XLogP: 0.62
• TPSA: 18.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	211.35
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-3-yl)-4-methylpiperazine?

The IUPAC name of 1-(4,4-dimethylpiperidin-3-yl)-4-methylpiperazine (CID 117025957) is 1-(4,4-dimethylpiperidin-3-yl)-4-methylpiperazine.

What is the SMILES notation for 1-(4,4-dimethylpiperidin-3-yl)-4-methylpiperazine?

The canonical SMILES for 1-(4,4-dimethylpiperidin-3-yl)-4-methylpiperazine is CN1CCN(C2CNCCC2(C)C)CC1.

What is the InChIKey of 1-(4,4-dimethylpiperidin-3-yl)-4-methylpiperazine?

The InChIKey is MQISCAYNCXIAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-12(2)4-5-13-10-11(12)15-8-6-14(3)7-9-15/h11,13H,4-10H2,1-3H3.

What are the key properties of 1-(4,4-dimethylpiperidin-3-yl)-4-methylpiperazine?

1-(4,4-dimethylpiperidin-3-yl)-4-methylpiperazine has a molecular weight of 211.35 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4,4-dimethylpiperidin-3-yl)-4-methylpiperazine is sourced from PubChem (CID 117025957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 117025957 — identifiers, structure, computed properties (public domain)

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