(5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone

C12H13FN2O3 — CID 113281589

IUPAC(5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
SMILESO=C(c1cc(F)ccc1O)N1CCC(=NO)CC1
InChIInChI=1S/C12H13FN2O3/c13-8-1-2-11(16)10(7-8)12(17)15-5-3-9(14-18)4-6-15/h1-2,7,16,18H,3-6H2
InChIKeyMDRMEGNSBIPAPS-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.60
Rot. Bonds1

About (5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone

(5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone (PubChem CID 113281589) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
PubChem CID113281589
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name(5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
SMILESO=C(c1cc(F)ccc1O)N1CCC(=NO)CC1
InChIInChI=1S/C12H13FN2O3/c13-8-1-2-11(16)10(7-8)12(17)15-5-3-9(14-18)4-6-15/h1-2,7,16,18H,3-6H2
InChIKeyMDRMEGNSBIPAPS-UHFFFAOYSA-N
XLogP1.60
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
(4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299098
(2,5-difluoro-3-nitrophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 107122468
(5-fluoro-2-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 79882938
1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid
CID 115298536
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
(5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone
CID 126772952
(3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 64950480
(5-fluoro-2-hydroxyphenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 115299319
(3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299654
3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 115298494
(5-fluoro-2-hydroxyphenyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111664774

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone (CID 113281589) is (5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone is O=C(c1cc(F)ccc1O)N1CCC(=NO)CC1.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The InChIKey is MDRMEGNSBIPAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-8-1-2-11(16)10(7-8)12(17)15-5-3-9(14-18)4-6-15/h1-2,7,16,18H,3-6H2.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
(5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone has a molecular weight of 252.24 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone is sourced from PubChem (CID 113281589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).