1-[4-(1-fluoroethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one

C₁₂H₂₂FNO₂ — CID 134271502

About 1-[4-(1-fluoroethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(1-fluoroethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 134271502) has the molecular formula C₁₂H₂₂FNO₂ and a molecular weight of 231.31 g/mol. Its IUPAC name is 1-[4-(1-fluoroethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: 1-[4-(1-fluoroethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one
• PubChem CID: 134271502
• Molecular Formula: C₁₂H₂₂FNO₂
• Molecular Weight: 231.31 g/mol
• Exact Mass: 231.16
• IUPAC Name: 1-[4-(1-fluoroethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one
• SMILES: CC(F)OC1CCN(C(=O)C(C)(C)C)CC1
• InChI: InChI=1S/C12H22FNO2/c1-9(13)16-10-5-7-14(8-6-10)11(15)12(2,3)4/h9-10H,5-8H2,1-4H3
• InChIKey: MBLFUJIGVZMTSS-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	231.31
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-fluoroethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one?

The IUPAC name of 1-[4-(1-fluoroethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 134271502) is 1-[4-(1-fluoroethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one.

What is the SMILES notation for 1-[4-(1-fluoroethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one?

The canonical SMILES for 1-[4-(1-fluoroethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(F)OC1CCN(C(=O)C(C)(C)C)CC1.

What is the InChIKey of 1-[4-(1-fluoroethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one?

The InChIKey is MBLFUJIGVZMTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO2/c1-9(13)16-10-5-7-14(8-6-10)11(15)12(2,3)4/h9-10H,5-8H2,1-4H3.

What are the key properties of 1-[4-(1-fluoroethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one?

1-[4-(1-fluoroethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 231.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(1-fluoroethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 134271502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134271502 — identifiers, structure, computed properties (public domain)

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