1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane

C₁₂H₂₅F₂N₃ — CID 177029060

About 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane

1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane (PubChem CID 177029060) has the molecular formula C₁₂H₂₅F₂N₃ and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane.

Molecular Properties

• Compound Name: 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane
• PubChem CID: 177029060
• Molecular Formula: C₁₂H₂₅F₂N₃
• Molecular Weight: 249.35 g/mol
• Exact Mass: 249.20
• IUPAC Name: 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane
• SMILES: CC.CN1CCC(N2CCNCC2)C(F)(F)C1
• InChI: InChI=1S/C10H19F2N3.C2H6/c1-14-5-2-9(10(11,12)8-14)15-6-3-13-4-7-15;1-2/h9,13H,2-8H2,1H3;1-2H3
• InChIKey: FIJWRLIONMKELQ-UHFFFAOYSA-N
• XLogP: 1.26
• TPSA: 18.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	249.35
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane?

The IUPAC name of 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane (CID 177029060) is 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane.

What is the SMILES notation for 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane?

The canonical SMILES for 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane is CC.CN1CCC(N2CCNCC2)C(F)(F)C1.

What is the InChIKey of 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane?

The InChIKey is FIJWRLIONMKELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3.C2H6/c1-14-5-2-9(10(11,12)8-14)15-6-3-13-4-7-15;1-2/h9,13H,2-8H2,1H3;1-2H3.

What are the key properties of 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane?

1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane has a molecular weight of 249.35 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane is sourced from PubChem (CID 177029060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177029060 — identifiers, structure, computed properties (public domain)

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