6-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one

C13H15FN2O2 — CID 10243822

IUPAC6-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
SMILESO=C1OCc2cc(F)ccc2N1C1CCNCC1
InChIInChI=1S/C13H15FN2O2/c14-10-1-2-12-9(7-10)8-18-13(17)16(12)11-3-5-15-6-4-11/h1-2,7,11,15H,3-6,8H2
InChIKeyRVBGAMRIIUQUTO-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.03
Rot. Bonds1

About 6-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one

6-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one (PubChem CID 10243822) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 6-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name6-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
PubChem CID10243822
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name6-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
SMILESO=C1OCc2cc(F)ccc2N1C1CCNCC1
InChIInChI=1S/C13H15FN2O2/c14-10-1-2-12-9(7-10)8-18-13(17)16(12)11-3-5-15-6-4-11/h1-2,7,11,15H,3-6,8H2
InChIKeyRVBGAMRIIUQUTO-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-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 6-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one?
The IUPAC name of 6-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one (CID 10243822) is 6-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one.
What is the SMILES notation for 6-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one?
The canonical SMILES for 6-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one is O=C1OCc2cc(F)ccc2N1C1CCNCC1.
What is the InChIKey of 6-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one?
The InChIKey is RVBGAMRIIUQUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-10-1-2-12-9(7-10)8-18-13(17)16(12)11-3-5-15-6-4-11/h1-2,7,11,15H,3-6,8H2.
What are the key properties of 6-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one?
6-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one has a molecular weight of 250.27 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 10243822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).