2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane

C₁₈H₂₈N₂O — CID 120906518

About 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane

2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 120906518) has the molecular formula C₁₈H₂₈N₂O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

• Compound Name: 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane
• PubChem CID: 120906518
• Molecular Formula: C₁₈H₂₈N₂O
• Molecular Weight: 288.44 g/mol
• Exact Mass: 288.22
• IUPAC Name: 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane
• SMILES: COc1c(C)cc(CN2CCC3(CCNCC3)C2)cc1C
• InChI: InChI=1S/C18H28N2O/c1-14-10-16(11-15(2)17(14)21-3)12-20-9-6-18(13-20)4-7-19-8-5-18/h10-11,19H,4-9,12-13H2,1-3H3
• InChIKey: LXYWIINFVUCDMD-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 24.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.44
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane?

The IUPAC name of 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane (CID 120906518) is 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane.

What is the SMILES notation for 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane?

The canonical SMILES for 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane is COc1c(C)cc(CN2CCC3(CCNCC3)C2)cc1C.

What is the InChIKey of 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane?

The InChIKey is LXYWIINFVUCDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-10-16(11-15(2)17(14)21-3)12-20-9-6-18(13-20)4-7-19-8-5-18/h10-11,19H,4-9,12-13H2,1-3H3.

What are the key properties of 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane?

2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 288.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120906518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 120906518 — identifiers, structure, computed properties (public domain)

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