1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone

C13H18N2O2 — CID 104528170

IUPAC1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(O)CC2)cc1N
InChIInChI=1S/C13H18N2O2/c1-9(16)12-3-2-10(8-13(12)14)15-6-4-11(17)5-7-15/h2-3,8,11,17H,4-7,14H2,1H3
InChIKeyJMGLUOWPFLXVQW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.43
Rot. Bonds2

About 1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone

1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone (PubChem CID 104528170) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
PubChem CID104528170
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(O)CC2)cc1N
InChIInChI=1S/C13H18N2O2/c1-9(16)12-3-2-10(8-13(12)14)15-6-4-11(17)5-7-15/h2-3,8,11,17H,4-7,14H2,1H3
InChIKeyJMGLUOWPFLXVQW-UHFFFAOYSA-N
XLogP1.43
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone (CID 104528170) is 1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2CCC(O)CC2)cc1N.
What is the InChIKey of 1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone?
The InChIKey is JMGLUOWPFLXVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(16)12-3-2-10(8-13(12)14)15-6-4-11(17)5-7-15/h2-3,8,11,17H,4-7,14H2,1H3.
What are the key properties of 1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone?
1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone has a molecular weight of 234.30 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 104528170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).