6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane

C16H23FN2O — CID 64844626

IUPAC6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCOc1ccc(CN2CCNCC23CCCC3)cc1F
InChIInChI=1S/C16H23FN2O/c1-20-15-5-4-13(10-14(15)17)11-19-9-8-18-12-16(19)6-2-3-7-16/h4-5,10,18H,2-3,6-9,11-12H2,1H3
InChIKeyGXSVEDOIRPZGLU-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.55
Rot. Bonds3

About 6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane

6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64844626) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
PubChem CID64844626
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCOc1ccc(CN2CCNCC23CCCC3)cc1F
InChIInChI=1S/C16H23FN2O/c1-20-15-5-4-13(10-14(15)17)11-19-9-8-18-12-16(19)6-2-3-7-16/h4-5,10,18H,2-3,6-9,11-12H2,1H3
InChIKeyGXSVEDOIRPZGLU-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933207
1-[(4-methoxy-3-nitrophenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933342
1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 102877776
1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine
CID 65463120
6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane
CID 64846799
(5R)-9-benzylsulfonyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decane
CID 97408742
7-(benzenesulfonyl)-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,7-diazaspiro[4.4]nonane
CID 134074739
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 64834581
2-(3-fluoro-4-methoxyphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116569863
2-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5,5-trimethylpiperazine
CID 64843626
6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64845217
1-[(4-bromo-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64844438

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane (CID 64844626) is 6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane is COc1ccc(CN2CCNCC23CCCC3)cc1F.
What is the InChIKey of 6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is GXSVEDOIRPZGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-20-15-5-4-13(10-14(15)17)11-19-9-8-18-12-16(19)6-2-3-7-16/h4-5,10,18H,2-3,6-9,11-12H2,1H3.
What are the key properties of 6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane?
6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 278.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64844626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).