1-[2-fluoro-4-(hydroxyamino)phenyl]piperidin-4-one

C11H13FN2O2 — CID 156515873

IUPAC1-[2-fluoro-4-(hydroxyamino)phenyl]piperidin-4-one
SMILESO=C1CCN(c2ccc(NO)cc2F)CC1
InChIInChI=1S/C11H13FN2O2/c12-10-7-8(13-16)1-2-11(10)14-5-3-9(15)4-6-14/h1-2,7,13,16H,3-6H2
InChIKeyHGICRQWELWKSJZ-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.80
Rot. Bonds2

About 1-[2-fluoro-4-(hydroxyamino)phenyl]piperidin-4-one

1-[2-fluoro-4-(hydroxyamino)phenyl]piperidin-4-one (PubChem CID 156515873) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 1-[2-fluoro-4-(hydroxyamino)phenyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-fluoro-4-(hydroxyamino)phenyl]piperidin-4-one
PubChem CID156515873
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name1-[2-fluoro-4-(hydroxyamino)phenyl]piperidin-4-one
SMILESO=C1CCN(c2ccc(NO)cc2F)CC1
InChIInChI=1S/C11H13FN2O2/c12-10-7-8(13-16)1-2-11(10)14-5-3-9(15)4-6-14/h1-2,7,13,16H,3-6H2
InChIKeyHGICRQWELWKSJZ-UHFFFAOYSA-N
XLogP1.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(hydroxyamino)phenyl]piperidin-4-one?
The IUPAC name of 1-[2-fluoro-4-(hydroxyamino)phenyl]piperidin-4-one (CID 156515873) is 1-[2-fluoro-4-(hydroxyamino)phenyl]piperidin-4-one.
What is the SMILES notation for 1-[2-fluoro-4-(hydroxyamino)phenyl]piperidin-4-one?
The canonical SMILES for 1-[2-fluoro-4-(hydroxyamino)phenyl]piperidin-4-one is O=C1CCN(c2ccc(NO)cc2F)CC1.
What is the InChIKey of 1-[2-fluoro-4-(hydroxyamino)phenyl]piperidin-4-one?
The InChIKey is HGICRQWELWKSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-10-7-8(13-16)1-2-11(10)14-5-3-9(15)4-6-14/h1-2,7,13,16H,3-6H2.
What are the key properties of 1-[2-fluoro-4-(hydroxyamino)phenyl]piperidin-4-one?
1-[2-fluoro-4-(hydroxyamino)phenyl]piperidin-4-one has a molecular weight of 224.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(hydroxyamino)phenyl]piperidin-4-one is sourced from PubChem (CID 156515873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).