8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane

C18H26F2N2O — CID 131660834

IUPAC8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane
SMILESCOCC1CCC2(CCN(Cc3ccc(F)c(F)c3)CC2)N1C
InChIInChI=1S/C18H26F2N2O/c1-21-15(13-23-2)5-6-18(21)7-9-22(10-8-18)12-14-3-4-16(19)17(20)11-14/h3-4,11,15H,5-10,12-13H2,1-2H3
InChIKeyGPIBEYYEGHXMRX-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.04
Rot. Bonds4

About 8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane

8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane (PubChem CID 131660834) has the molecular formula C18H26F2N2O and a molecular weight of 324.41 g/mol. Its IUPAC name is 8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane
PubChem CID131660834
Molecular FormulaC18H26F2N2O
Molecular Weight324.41 g/mol
Exact Mass324.20
IUPAC Name8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane
SMILESCOCC1CCC2(CCN(Cc3ccc(F)c(F)c3)CC2)N1C
InChIInChI=1S/C18H26F2N2O/c1-21-15(13-23-2)5-6-18(21)7-9-22(10-8-18)12-14-3-4-16(19)17(20)11-14/h3-4,11,15H,5-10,12-13H2,1-2H3
InChIKeyGPIBEYYEGHXMRX-UHFFFAOYSA-N
XLogP3.04
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 131648763
(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97474938
methyl 1-[(3,4-difluorophenyl)methyl]piperidine-4-carboxylate
CID 78912325
8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 59805850
1-[(3,4-difluorophenyl)methyl]-4-(hydroxymethyl)azepan-4-ol
CID 56886709
1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
CID 97475946
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
2-fluoro-5-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 107880844
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 82919208
8-[(3-fluorophenyl)methyl]-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155834191
1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one
CID 45197923
(3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane
CID 97476268

Frequently Asked Questions

What is the IUPAC name of 8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane (CID 131660834) is 8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane is COCC1CCC2(CCN(Cc3ccc(F)c(F)c3)CC2)N1C.
What is the InChIKey of 8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane?
The InChIKey is GPIBEYYEGHXMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O/c1-21-15(13-23-2)5-6-18(21)7-9-22(10-8-18)12-14-3-4-16(19)17(20)11-14/h3-4,11,15H,5-10,12-13H2,1-2H3.
What are the key properties of 8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane?
8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane has a molecular weight of 324.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,4-difluorophenyl)methyl]-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 131660834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).