5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane

C15H20FNO — CID 106824886

IUPAC5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCNCC2c2cccc(F)c2)C1
InChIInChI=1S/C15H20FNO/c1-18-13-8-15(9-13)5-6-17-10-14(15)11-3-2-4-12(16)7-11/h2-4,7,13-14,17H,5-6,8-10H2,1H3
InChIKeySJBWOYIZZMSDLC-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.70
Rot. Bonds2

About 5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane

5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane (PubChem CID 106824886) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane
PubChem CID106824886
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCNCC2c2cccc(F)c2)C1
InChIInChI=1S/C15H20FNO/c1-18-13-8-15(9-13)5-6-17-10-14(15)11-3-2-4-12(16)7-11/h2-4,7,13-14,17H,5-6,8-10H2,1H3
InChIKeySJBWOYIZZMSDLC-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane
CID 79432055
11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79433041
2-methoxy-5-(4-methylphenyl)-7-azaspiro[3.5]nonane
CID 106824876
5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane
CID 106824891
5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane
CID 79433045
5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane
CID 79431795
9-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione
CID 106824849
4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine
CID 79439867
5-(3-bromophenyl)-9,9-dimethyl-3-azaspiro[5.5]undecane
CID 79433285
4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine
CID 84725231
4,4-difluoro-3-(3-methylphenyl)piperidine
CID 84723273
3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79432318

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane?
The IUPAC name of 5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane (CID 106824886) is 5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane.
What is the SMILES notation for 5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane?
The canonical SMILES for 5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane is COC1CC2(CCNCC2c2cccc(F)c2)C1.
What is the InChIKey of 5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane?
The InChIKey is SJBWOYIZZMSDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-18-13-8-15(9-13)5-6-17-10-14(15)11-3-2-4-12(16)7-11/h2-4,7,13-14,17H,5-6,8-10H2,1H3.
What are the key properties of 5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane?
5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane has a molecular weight of 249.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane is sourced from PubChem (CID 106824886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).