6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one

C12H16N2O2 — CID 105475712

IUPAC6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one
SMILESCN1C(=O)CCC(O)C1c1cccc(N)c1
InChIInChI=1S/C12H16N2O2/c1-14-11(16)6-5-10(15)12(14)8-3-2-4-9(13)7-8/h2-4,7,10,12,15H,5-6,13H2,1H3
InChIKeyNNDSVANJYLPAFL-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.92
Rot. Bonds1

About 6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one

6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one (PubChem CID 105475712) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one.

Molecular Properties

Compound Name6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one
PubChem CID105475712
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one
SMILESCN1C(=O)CCC(O)C1c1cccc(N)c1
InChIInChI=1S/C12H16N2O2/c1-14-11(16)6-5-10(15)12(14)8-3-2-4-9(13)7-8/h2-4,7,10,12,15H,5-6,13H2,1H3
InChIKeyNNDSVANJYLPAFL-UHFFFAOYSA-N
XLogP0.92
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one?
The IUPAC name of 6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one (CID 105475712) is 6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one.
What is the SMILES notation for 6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one?
The canonical SMILES for 6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one is CN1C(=O)CCC(O)C1c1cccc(N)c1.
What is the InChIKey of 6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one?
The InChIKey is NNDSVANJYLPAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-11(16)6-5-10(15)12(14)8-3-2-4-9(13)7-8/h2-4,7,10,12,15H,5-6,13H2,1H3.
What are the key properties of 6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one?
6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one is sourced from PubChem (CID 105475712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).