1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone

C₁₆H₂₁FN₂O₂ — CID 107015923

About 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone

1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone (PubChem CID 107015923) has the molecular formula C₁₆H₂₁FN₂O₂ and a molecular weight of 292.35 g/mol. Its IUPAC name is 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

• Compound Name: 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
• PubChem CID: 107015923
• Molecular Formula: C₁₆H₂₁FN₂O₂
• Molecular Weight: 292.35 g/mol
• Exact Mass: 292.16
• IUPAC Name: 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
• SMILES: O=C(c1ccc(F)cc1O)N1CCNCC12CCCCC2
• InChI: InChI=1S/C16H21FN2O2/c17-12-4-5-13(14(20)10-12)15(21)19-9-8-18-11-16(19)6-2-1-3-7-16/h4-5,10,18,20H,1-3,6-9,11H2
• InChIKey: DQOPCOVJWAUGOS-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 52.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.35
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone?

The IUPAC name of 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone (CID 107015923) is 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone.

What is the SMILES notation for 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone?

The canonical SMILES for 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone is O=C(c1ccc(F)cc1O)N1CCNCC12CCCCC2.

What is the InChIKey of 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone?

The InChIKey is DQOPCOVJWAUGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-12-4-5-13(14(20)10-12)15(21)19-9-8-18-11-16(19)6-2-1-3-7-16/h4-5,10,18,20H,1-3,6-9,11H2.

What are the key properties of 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone?

1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 292.35 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 107015923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107015923 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.