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

C17H24F2N2O — CID 91910488

IUPAC2-[(3,4-difluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2ccc(F)c(F)c2)CC12CCNCC2
InChIInChI=1S/C17H24F2N2O/c1-22-11-14-10-21(12-17(14)4-6-20-7-5-17)9-13-2-3-15(18)16(19)8-13/h2-3,8,14,20H,4-7,9-12H2,1H3
InChIKeyXPEMOCLABUHVBZ-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.41
Rot. Bonds4

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

2-[(3,4-difluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91910488) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID91910488
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name2-[(3,4-difluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2ccc(F)c(F)c2)CC12CCNCC2
InChIInChI=1S/C17H24F2N2O/c1-22-11-14-10-21(12-17(14)4-6-20-7-5-17)9-13-2-3-15(18)16(19)8-13/h2-3,8,14,20H,4-7,9-12H2,1H3
InChIKeyXPEMOCLABUHVBZ-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-(2,3,4-trifluoro-benzyl)-amine
CID 44441353
[2-Cyclobutyl-8-(4-fluorobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91910425
8-[(5-Bromo-2-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 91910521
[(3S,4S)-4-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
CID 91921210
[2-Cyclobutyl-8-(2,5-difluorobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91921885
4-(Methoxymethyl)-2-[3-(trifluoromethyl)benzyl]-2,8-diazaspiro[4.5]decane
CID 91922012
[8-(3-Chloro-4-fluorobenzyl)-2-methyl-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91922082
[2-(2-Fluorobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91910487
[2-(4-Chloro-3-fluorobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91910491
[2-(3-Bromo-5-fluorobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91910492
N-(4-fluorobenzyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 91910495
8-[(4-Chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 91910520

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 91910488) is 2-[(3,4-difluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is COCC1CN(Cc2ccc(F)c(F)c2)CC12CCNCC2.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is XPEMOCLABUHVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O/c1-22-11-14-10-21(12-17(14)4-6-20-7-5-17)9-13-2-3-15(18)16(19)8-13/h2-3,8,14,20H,4-7,9-12H2,1H3.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
2-[(3,4-difluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 310.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91910488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).