4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine

C₁₁H₂₀FN — CID 122578819

About 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine

4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine (PubChem CID 122578819) has the molecular formula C₁₁H₂₀FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine.

Molecular Properties

• Compound Name: 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
• PubChem CID: 122578819
• Molecular Formula: C₁₁H₂₀FN
• Molecular Weight: 185.29 g/mol
• Exact Mass: 185.16
• IUPAC Name: 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
• SMILES: C=C(C)N1CCC(F)(C(C)C)CC1
• InChI: InChI=1S/C11H20FN/c1-9(2)11(12)5-7-13(8-6-11)10(3)4/h9H,3,5-8H2,1-2,4H3
• InChIKey: OOMJDQZVZXCNFR-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	185.29
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine?

The IUPAC name of 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine (CID 122578819) is 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine.

What is the SMILES notation for 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine?

The canonical SMILES for 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine is C=C(C)N1CCC(F)(C(C)C)CC1.

What is the InChIKey of 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine?

The InChIKey is OOMJDQZVZXCNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-9(2)11(12)5-7-13(8-6-11)10(3)4/h9H,3,5-8H2,1-2,4H3.

What are the key properties of 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine?

4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine has a molecular weight of 185.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 122578819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122578819 — identifiers, structure, computed properties (public domain)

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