1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane

C14H19FN2O — CID 86820573

IUPAC1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane
SMILESCOC1CN(c2cccc(F)c2)C12CCNCC2
InChIInChI=1S/C14H19FN2O/c1-18-13-10-17(12-4-2-3-11(15)9-12)14(13)5-7-16-8-6-14/h2-4,9,13,16H,5-8,10H2,1H3
InChIKeyRTDRGCYQTCPPQH-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.78
Rot. Bonds2

About 1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane

1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane (PubChem CID 86820573) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane
PubChem CID86820573
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane
SMILESCOC1CN(c2cccc(F)c2)C12CCNCC2
InChIInChI=1S/C14H19FN2O/c1-18-13-10-17(12-4-2-3-11(15)9-12)14(13)5-7-16-8-6-14/h2-4,9,13,16H,5-8,10H2,1H3
InChIKeyRTDRGCYQTCPPQH-UHFFFAOYSA-N
XLogP1.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane?
The IUPAC name of 1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane (CID 86820573) is 1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane?
The canonical SMILES for 1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane is COC1CN(c2cccc(F)c2)C12CCNCC2.
What is the InChIKey of 1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane?
The InChIKey is RTDRGCYQTCPPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-18-13-10-17(12-4-2-3-11(15)9-12)14(13)5-7-16-8-6-14/h2-4,9,13,16H,5-8,10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane?
1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane has a molecular weight of 250.32 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 86820573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).