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

C17H25FN2O — CID 114840965

IUPAC8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1c1ccc(F)c(OC)c1
InChIInChI=1S/C17H25FN2O/c1-3-13-11-19-17(8-4-5-9-17)12-20(13)14-6-7-15(18)16(10-14)21-2/h6-7,10,13,19H,3-5,8-9,11-12H2,1-2H3
InChIKeyKUHQVUBASJPQGP-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.34
Rot. Bonds3

About 8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane

8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane (PubChem CID 114840965) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane
PubChem CID114840965
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1c1ccc(F)c(OC)c1
InChIInChI=1S/C17H25FN2O/c1-3-13-11-19-17(8-4-5-9-17)12-20(13)14-6-7-15(18)16(10-14)21-2/h6-7,10,13,19H,3-5,8-9,11-12H2,1-2H3
InChIKeyKUHQVUBASJPQGP-UHFFFAOYSA-N
XLogP3.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane (CID 114840965) is 8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane is CCC1CNC2(CCCC2)CN1c1ccc(F)c(OC)c1.
What is the InChIKey of 8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is KUHQVUBASJPQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-13-11-19-17(8-4-5-9-17)12-20(13)14-6-7-15(18)16(10-14)21-2/h6-7,10,13,19H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane?
8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 292.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 114840965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).