3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione

C12H13FN2O3 — CID 177240512

IUPAC3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione
SMILESO=C1CCC(NC(O)c2ccccc2F)C(=O)N1
InChIInChI=1S/C12H13FN2O3/c13-8-4-2-1-3-7(8)11(17)14-9-5-6-10(16)15-12(9)18/h1-4,9,11,14,17H,5-6H2,(H,15,16,18)
InChIKeyXWRIEFJNUGOFNO-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.21
Rot. Bonds3

About 3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione

3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione (PubChem CID 177240512) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is 3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione
PubChem CID177240512
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione
SMILESO=C1CCC(NC(O)c2ccccc2F)C(=O)N1
InChIInChI=1S/C12H13FN2O3/c13-8-4-2-1-3-7(8)11(17)14-9-5-6-10(16)15-12(9)18/h1-4,9,11,14,17H,5-6H2,(H,15,16,18)
InChIKeyXWRIEFJNUGOFNO-UHFFFAOYSA-N
XLogP0.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione
CID 81379800
3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione
CID 107711048
ethane;ethene;3-(2-fluoroanilino)piperidine-2,6-dione;molecular hydrogen
CID 176683577
3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione
CID 112652138
N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide
CID 138460839
3-(2,5-difluoroanilino)piperidine-2,6-dione
CID 170749830
ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749603
3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione
CID 54866793
3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one
CID 55033727
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione (CID 177240512) is 3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione is O=C1CCC(NC(O)c2ccccc2F)C(=O)N1.
What is the InChIKey of 3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione?
The InChIKey is XWRIEFJNUGOFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-8-4-2-1-3-7(8)11(17)14-9-5-6-10(16)15-12(9)18/h1-4,9,11,14,17H,5-6H2,(H,15,16,18).
What are the key properties of 3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione?
3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione has a molecular weight of 252.25 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione is sourced from PubChem (CID 177240512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).