(2R)-2-(4-fluorophenyl)-4-hydroxyiminopiperidine-1-carboxylic acid

C12H13FN2O3 — CID 173168868

IUPAC(2R)-2-(4-fluorophenyl)-4-hydroxyiminopiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(=NO)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3/c13-9-3-1-8(2-4-9)11-7-10(14-18)5-6-15(11)12(16)17/h1-4,11,18H,5-7H2,(H,16,17)/t11-/m1/s1
InChIKeyNZLFCOLPJQFUHD-LLVKDONJSA-N
MW252.24 g/mol
LogP2.47
Rot. Bonds1

About (2R)-2-(4-fluorophenyl)-4-hydroxyiminopiperidine-1-carboxylic acid

(2R)-2-(4-fluorophenyl)-4-hydroxyiminopiperidine-1-carboxylic acid (PubChem CID 173168868) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-4-hydroxyiminopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-4-hydroxyiminopiperidine-1-carboxylic acid
PubChem CID173168868
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name(2R)-2-(4-fluorophenyl)-4-hydroxyiminopiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(=NO)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3/c13-9-3-1-8(2-4-9)11-7-10(14-18)5-6-15(11)12(16)17/h1-4,11,18H,5-7H2,(H,16,17)/t11-/m1/s1
InChIKeyNZLFCOLPJQFUHD-LLVKDONJSA-N
XLogP2.47
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(3,5-difluorophenyl)-4-oxopiperidine-1-carboxylic acid
CID 90948947
2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidine-1-carboxylic acid
CID 135283990
4-(difluoromethoxy)-2-(4-fluorophenyl)piperidine-1-carboxylic acid
CID 135338215
2-(4-fluorophenyl)-4-prop-2-ynylpiperidine-1-carboxylic acid
CID 87216734
(2S)-4-cyclopropylidene-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid
CID 175559061
sodium;boranuide;(2R,5R)-2-(4-fluorophenyl)-4-hydroxy-5-methylpiperidine-1-carboxylic acid
CID 174054519
(2S,3S)-3-(4-fluorophenyl)-2-formylpyrrolidine-1-carboxylic acid
CID 118089137
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid
CID 138597714
2-(4-methylphenyl)piperidine-1-carboxylic acid
CID 142773311
(7R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]-7-phenyl-1,4-diazepan-5-one
CID 95283420
2-phenylaziridine-1-carboxylic acid
CID 87708946

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-4-hydroxyiminopiperidine-1-carboxylic acid?
The IUPAC name of (2R)-2-(4-fluorophenyl)-4-hydroxyiminopiperidine-1-carboxylic acid (CID 173168868) is (2R)-2-(4-fluorophenyl)-4-hydroxyiminopiperidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-4-hydroxyiminopiperidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-4-hydroxyiminopiperidine-1-carboxylic acid is O=C(O)N1CCC(=NO)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-4-hydroxyiminopiperidine-1-carboxylic acid?
The InChIKey is NZLFCOLPJQFUHD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-9-3-1-8(2-4-9)11-7-10(14-18)5-6-15(11)12(16)17/h1-4,11,18H,5-7H2,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-4-hydroxyiminopiperidine-1-carboxylic acid?
(2R)-2-(4-fluorophenyl)-4-hydroxyiminopiperidine-1-carboxylic acid has a molecular weight of 252.24 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-4-hydroxyiminopiperidine-1-carboxylic acid is sourced from PubChem (CID 173168868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).