8-fluoro-10-[(3-hydroxypiperidin-1-yl)methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one

C18H21FN2O2 — CID 173137174

IUPAC8-fluoro-10-[(3-hydroxypiperidin-1-yl)methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
SMILESO=c1ccc2ccc(F)c3c2n1CCC3CN1CCCC(O)C1
InChIInChI=1S/C18H21FN2O2/c19-15-5-3-12-4-6-16(23)21-9-7-13(17(15)18(12)21)10-20-8-1-2-14(22)11-20/h3-6,13-14,22H,1-2,7-11H2
InChIKeyOCCGEEGBHKFEQZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.08
Rot. Bonds2

About 8-fluoro-10-[(3-hydroxypiperidin-1-yl)methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one

8-fluoro-10-[(3-hydroxypiperidin-1-yl)methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one (PubChem CID 173137174) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 8-fluoro-10-[(3-hydroxypiperidin-1-yl)methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one.

Molecular Properties

Compound Name8-fluoro-10-[(3-hydroxypiperidin-1-yl)methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
PubChem CID173137174
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name8-fluoro-10-[(3-hydroxypiperidin-1-yl)methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
SMILESO=c1ccc2ccc(F)c3c2n1CCC3CN1CCCC(O)C1
InChIInChI=1S/C18H21FN2O2/c19-15-5-3-12-4-6-16(23)21-9-7-13(17(15)18(12)21)10-20-8-1-2-14(22)11-20/h3-6,13-14,22H,1-2,7-11H2
InChIKeyOCCGEEGBHKFEQZ-UHFFFAOYSA-N
XLogP2.08
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-10-[(3-hydroxypiperidin-1-yl)methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one 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 8-fluoro-10-[(3-hydroxypiperidin-1-yl)methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one?
The IUPAC name of 8-fluoro-10-[(3-hydroxypiperidin-1-yl)methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one (CID 173137174) is 8-fluoro-10-[(3-hydroxypiperidin-1-yl)methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one.
What is the SMILES notation for 8-fluoro-10-[(3-hydroxypiperidin-1-yl)methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one?
The canonical SMILES for 8-fluoro-10-[(3-hydroxypiperidin-1-yl)methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one is O=c1ccc2ccc(F)c3c2n1CCC3CN1CCCC(O)C1.
What is the InChIKey of 8-fluoro-10-[(3-hydroxypiperidin-1-yl)methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one?
The InChIKey is OCCGEEGBHKFEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-15-5-3-12-4-6-16(23)21-9-7-13(17(15)18(12)21)10-20-8-1-2-14(22)11-20/h3-6,13-14,22H,1-2,7-11H2.
What are the key properties of 8-fluoro-10-[(3-hydroxypiperidin-1-yl)methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one?
8-fluoro-10-[(3-hydroxypiperidin-1-yl)methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one has a molecular weight of 316.38 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-10-[(3-hydroxypiperidin-1-yl)methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one is sourced from PubChem (CID 173137174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).