10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane

C16H23FN2O — CID 114840945

IUPAC10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane
SMILESCOc1cc(N2CCCNC3(CCCC3)C2)ccc1F
InChIInChI=1S/C16H23FN2O/c1-20-15-11-13(5-6-14(15)17)19-10-4-9-18-16(12-19)7-2-3-8-16/h5-6,11,18H,2-4,7-10,12H2,1H3
InChIKeyUENOCZHVKLHYHG-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.95
Rot. Bonds2

About 10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane

10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane (PubChem CID 114840945) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane
PubChem CID114840945
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane
SMILESCOc1cc(N2CCCNC3(CCCC3)C2)ccc1F
InChIInChI=1S/C16H23FN2O/c1-20-15-11-13(5-6-14(15)17)19-10-4-9-18-16(12-19)7-2-3-8-16/h5-6,11,18H,2-4,7-10,12H2,1H3
InChIKeyUENOCZHVKLHYHG-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane
CID 114840965
9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane
CID 65429942
10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64950005
10-(3-chlorophenyl)-6,10-diazaspiro[4.6]undecane
CID 64944935
4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 65431049
3-ethyl-1-(4-fluoro-3-methoxyphenyl)-1,4-diazepane
CID 114840926
7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane
CID 11601092
11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane
CID 64943004
9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane
CID 64954522
11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane
CID 64944299
4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane
CID 64954511
10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 107594271

Frequently Asked Questions

What is the IUPAC name of 10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane (CID 114840945) is 10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane is COc1cc(N2CCCNC3(CCCC3)C2)ccc1F.
What is the InChIKey of 10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane?
The InChIKey is UENOCZHVKLHYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-20-15-11-13(5-6-14(15)17)19-10-4-9-18-16(12-19)7-2-3-8-16/h5-6,11,18H,2-4,7-10,12H2,1H3.
What are the key properties of 10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane?
10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane has a molecular weight of 278.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 114840945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).