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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).