[2-(2-methoxyethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

C20H29F3N2O2 — CID 91921807

IUPAC[2-(2-methoxyethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCOCCN1CC(CO)C2(CCN(Cc3ccccc3C(F)(F)F)CC2)C1
InChIInChI=1S/C20H29F3N2O2/c1-27-11-10-25-13-17(14-26)19(15-25)6-8-24(9-7-19)12-16-4-2-3-5-18(16)20(21,22)23/h2-5,17,26H,6-15H2,1H3
InChIKeyMNJHISDEGGRUHC-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.86
Rot. Bonds6

About [2-(2-methoxyethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

[2-(2-methoxyethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921807) has the molecular formula C20H29F3N2O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is [2-(2-methoxyethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-methoxyethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921807
Molecular FormulaC20H29F3N2O2
Molecular Weight386.46 g/mol
Exact Mass386.22
IUPAC Name[2-(2-methoxyethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCOCCN1CC(CO)C2(CCN(Cc3ccccc3C(F)(F)F)CC2)C1
InChIInChI=1S/C20H29F3N2O2/c1-27-11-10-25-13-17(14-26)19(15-25)6-8-24(9-7-19)12-16-4-2-3-5-18(16)20(21,22)23/h2-5,17,26H,6-15H2,1H3
InChIKeyMNJHISDEGGRUHC-UHFFFAOYSA-N
XLogP2.86
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-methoxyethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol with MolForge

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Related Compounds

2-[{[(3R*,4R*)-1-(biphenyl-2-ylmethyl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl}(methyl)amino]ethanol
CID 70763083
2-{1-Isobutyl-4-[2-(trifluoromethyl)benzyl]piperazin-2-yl}ethanol
CID 16187792
[2-Cyclobutyl-8-(4-fluorobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91910425
[2-Cyclobutyl-8-(2,5-difluorobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91921885
(1-{[2-(Trifluoromethyl)phenyl]methyl}pyrrolidin-2-yl)methanol
CID 2845337
2-[{[(3R*,4R*)-4-(hydroxymethyl)-1-(2-methylbenzyl)pyrrolidin-3-yl]methyl}(methyl)amino]ethanol
CID 70718459
{3-(2-Methoxyethyl)-1-[4-(trifluoromethyl)benzyl]-3-piperidinyl}methanol
CID 72844676
[1-(4-Fluoro-2-methylbenzyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91774205
1-[4-[(3S,4S)-4-(hydroxymethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone
CID 91921233
{2-[4-(Trifluoromethyl)benzyl]-2,8-diazaspiro[4.5]dec-4-yl}methanol
CID 91921710
[8-[(3,4-Difluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921808
[8-[(3-Chloro-4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921810

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [2-(2-methoxyethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921807) is [2-(2-methoxyethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [2-(2-methoxyethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [2-(2-methoxyethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is COCCN1CC(CO)C2(CCN(Cc3ccccc3C(F)(F)F)CC2)C1.
What is the InChIKey of [2-(2-methoxyethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is MNJHISDEGGRUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O2/c1-27-11-10-25-13-17(14-26)19(15-25)6-8-24(9-7-19)12-16-4-2-3-5-18(16)20(21,22)23/h2-5,17,26H,6-15H2,1H3.
What are the key properties of [2-(2-methoxyethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[2-(2-methoxyethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 386.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethyl)-8-[[2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).