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

C18H25F3N2O — CID 91922011

IUPAC4-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2ccccc2C(F)(F)F)CC12CCNCC2
InChIInChI=1S/C18H25F3N2O/c1-24-12-15-11-23(13-17(15)6-8-22-9-7-17)10-14-4-2-3-5-16(14)18(19,20)21/h2-5,15,22H,6-13H2,1H3
InChIKeyJRGYLMPGIZZZLW-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.15
Rot. Bonds4

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

4-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 91922011) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane
PubChem CID91922011
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name4-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2ccccc2C(F)(F)F)CC12CCNCC2
InChIInChI=1S/C18H25F3N2O/c1-24-12-15-11-23(13-17(15)6-8-22-9-7-17)10-14-4-2-3-5-16(14)18(19,20)21/h2-5,15,22H,6-13H2,1H3
InChIKeyJRGYLMPGIZZZLW-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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Related Compounds

(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-(2-trifluoromethyl-benzyl)-amine
CID 11301893
(S)-N-(3-fluoro-2-(trifluoromethyl)benzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
CID 44441350
(S)-N-(2-methyl-3-(trifluoromethyl)benzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
CID 44441348
[(3S,4S)-4-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
CID 91921210
4-(Methoxymethyl)-2-[3-(trifluoromethyl)benzyl]-2,8-diazaspiro[4.5]decane
CID 91922012
N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)pyrrolidin-3-amine
CID 127049763
[2-(2-Fluorobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91910487
[2-(3,4-Difluorobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91910488
[2-(4-Chloro-3-fluorobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91910491
N-(4-fluorobenzyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 91910495
{(3S,4S)-4-[1-(3,4-difluorobenzyl)-4-piperidyl]tetrahydro-1H-pyrrol-3-yl}methanol
CID 91921211
{2-[4-(Trifluoromethyl)benzyl]-2,8-diazaspiro[4.5]dec-4-yl}methanol
CID 91921710

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane (CID 91922011) is 4-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane is COCC1CN(Cc2ccccc2C(F)(F)F)CC12CCNCC2.
What is the InChIKey of 4-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is JRGYLMPGIZZZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-24-12-15-11-23(13-17(15)6-8-22-9-7-17)10-14-4-2-3-5-16(14)18(19,20)21/h2-5,15,22H,6-13H2,1H3.
What are the key properties of 4-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
4-(methoxymethyl)-2-[[2-(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-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).