5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one

C12H16N2O3 — CID 63378589

IUPAC5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one
SMILESO=C1CCC(NCc2ccc(O)cc2O)CN1
InChIInChI=1S/C12H16N2O3/c15-10-3-1-8(11(16)5-10)6-13-9-2-4-12(17)14-7-9/h1,3,5,9,13,15-16H,2,4,6-7H2,(H,14,17)
InChIKeyZDEMJWVGGLGTMC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.47
Rot. Bonds3

About 5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one

5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one (PubChem CID 63378589) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one
PubChem CID63378589
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one
SMILESO=C1CCC(NCc2ccc(O)cc2O)CN1
InChIInChI=1S/C12H16N2O3/c15-10-3-1-8(11(16)5-10)6-13-9-2-4-12(17)14-7-9/h1,3,5,9,13,15-16H,2,4,6-7H2,(H,14,17)
InChIKeyZDEMJWVGGLGTMC-UHFFFAOYSA-N
XLogP0.47
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one
CID 106862663
5-(naphthalen-1-ylmethylamino)piperidin-2-one
CID 63378732
2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide
CID 63663722
5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one
CID 102876412
4-fluoro-3-[[(6-oxopiperidin-3-yl)amino]methyl]benzonitrile
CID 55244902
5-(1-benzofuran-3-ylmethylamino)piperidin-2-one
CID 80700614
5-[(2-fluoro-3-nitrophenyl)methylamino]piperidin-2-one
CID 107349177
5-(pyridin-4-ylmethylamino)piperidin-2-one
CID 63378640
5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one
CID 63661374
2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62490404
4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol
CID 64739906
2-(2-fluorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62490622

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one?
The IUPAC name of 5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one (CID 63378589) is 5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one is O=C1CCC(NCc2ccc(O)cc2O)CN1.
What is the InChIKey of 5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one?
The InChIKey is ZDEMJWVGGLGTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-10-3-1-8(11(16)5-10)6-13-9-2-4-12(17)14-7-9/h1,3,5,9,13,15-16H,2,4,6-7H2,(H,14,17).
What are the key properties of 5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one?
5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.47, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 63378589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).