4-(methoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane

C18H25F3N2O — CID 91922012

IUPAC4-(methoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2cccc(C(F)(F)F)c2)CC12CCNCC2
InChIInChI=1S/C18H25F3N2O/c1-24-12-16-11-23(13-17(16)5-7-22-8-6-17)10-14-3-2-4-15(9-14)18(19,20)21/h2-4,9,16,22H,5-8,10-13H2,1H3
InChIKeyAQGGCWKGBITBEO-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.15
Rot. Bonds4

About 4-(methoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane

4-(methoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 91922012) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane
PubChem CID91922012
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name4-(methoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2cccc(C(F)(F)F)c2)CC12CCNCC2
InChIInChI=1S/C18H25F3N2O/c1-24-12-16-11-23(13-17(16)5-7-22-8-6-17)10-14-3-2-4-15(9-14)18(19,20)21/h2-4,9,16,22H,5-8,10-13H2,1H3
InChIKeyAQGGCWKGBITBEO-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(methoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane (CID 91922012) is 4-(methoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(methoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(methoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane is COCC1CN(Cc2cccc(C(F)(F)F)c2)CC12CCNCC2.
What is the InChIKey of 4-(methoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is AQGGCWKGBITBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-24-12-16-11-23(13-17(16)5-7-22-8-6-17)10-14-3-2-4-15(9-14)18(19,20)21/h2-4,9,16,22H,5-8,10-13H2,1H3.
What are the key properties of 4-(methoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
4-(methoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 342.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).