4-[3-fluoro-4-(3-fluoro-4-hydroxyphenyl)piperidin-1-yl]oxazinan-3-one

C15H18F2N2O3 — CID 155071066

IUPAC4-[3-fluoro-4-(3-fluoro-4-hydroxyphenyl)piperidin-1-yl]oxazinan-3-one
SMILESO=C1NOCCC1N1CCC(c2ccc(O)c(F)c2)C(F)C1
InChIInChI=1S/C15H18F2N2O3/c16-11-7-9(1-2-14(11)20)10-3-5-19(8-12(10)17)13-4-6-22-18-15(13)21/h1-2,7,10,12-13,20H,3-6,8H2,(H,18,21)
InChIKeyLHKUQFZHDWJYFO-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.48
Rot. Bonds2

About 4-[3-fluoro-4-(3-fluoro-4-hydroxyphenyl)piperidin-1-yl]oxazinan-3-one

4-[3-fluoro-4-(3-fluoro-4-hydroxyphenyl)piperidin-1-yl]oxazinan-3-one (PubChem CID 155071066) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is 4-[3-fluoro-4-(3-fluoro-4-hydroxyphenyl)piperidin-1-yl]oxazinan-3-one.

Molecular Properties

Compound Name4-[3-fluoro-4-(3-fluoro-4-hydroxyphenyl)piperidin-1-yl]oxazinan-3-one
PubChem CID155071066
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name4-[3-fluoro-4-(3-fluoro-4-hydroxyphenyl)piperidin-1-yl]oxazinan-3-one
SMILESO=C1NOCCC1N1CCC(c2ccc(O)c(F)c2)C(F)C1
InChIInChI=1S/C15H18F2N2O3/c16-11-7-9(1-2-14(11)20)10-3-5-19(8-12(10)17)13-4-6-22-18-15(13)21/h1-2,7,10,12-13,20H,3-6,8H2,(H,18,21)
InChIKeyLHKUQFZHDWJYFO-UHFFFAOYSA-N
XLogP1.48
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(3-fluoro-4-hydroxyphenyl)piperidin-1-yl]oxazinan-3-one?
The IUPAC name of 4-[3-fluoro-4-(3-fluoro-4-hydroxyphenyl)piperidin-1-yl]oxazinan-3-one (CID 155071066) is 4-[3-fluoro-4-(3-fluoro-4-hydroxyphenyl)piperidin-1-yl]oxazinan-3-one.
What is the SMILES notation for 4-[3-fluoro-4-(3-fluoro-4-hydroxyphenyl)piperidin-1-yl]oxazinan-3-one?
The canonical SMILES for 4-[3-fluoro-4-(3-fluoro-4-hydroxyphenyl)piperidin-1-yl]oxazinan-3-one is O=C1NOCCC1N1CCC(c2ccc(O)c(F)c2)C(F)C1.
What is the InChIKey of 4-[3-fluoro-4-(3-fluoro-4-hydroxyphenyl)piperidin-1-yl]oxazinan-3-one?
The InChIKey is LHKUQFZHDWJYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c16-11-7-9(1-2-14(11)20)10-3-5-19(8-12(10)17)13-4-6-22-18-15(13)21/h1-2,7,10,12-13,20H,3-6,8H2,(H,18,21).
What are the key properties of 4-[3-fluoro-4-(3-fluoro-4-hydroxyphenyl)piperidin-1-yl]oxazinan-3-one?
4-[3-fluoro-4-(3-fluoro-4-hydroxyphenyl)piperidin-1-yl]oxazinan-3-one has a molecular weight of 312.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(3-fluoro-4-hydroxyphenyl)piperidin-1-yl]oxazinan-3-one is sourced from PubChem (CID 155071066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).