2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone

C13H18N2O3 — CID 69309353

IUPAC2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESNc1ccc(CC(=O)N2CCC(O)CC2)cc1O
InChIInChI=1S/C13H18N2O3/c14-11-2-1-9(7-12(11)17)8-13(18)15-5-3-10(16)4-6-15/h1-2,7,10,16-17H,3-6,8,14H2
InChIKeyHDVUSWZLDCUIFK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.50
Rot. Bonds2

About 2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone

2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 69309353) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID69309353
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESNc1ccc(CC(=O)N2CCC(O)CC2)cc1O
InChIInChI=1S/C13H18N2O3/c14-11-2-1-9(7-12(11)17)8-13(18)15-5-3-10(16)4-6-15/h1-2,7,10,16-17H,3-6,8,14H2
InChIKeyHDVUSWZLDCUIFK-UHFFFAOYSA-N
XLogP0.50
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone
CID 69370465
2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393427
1-(azetidin-1-yl)-2-(3,4-diaminophenyl)ethanone
CID 54082676
2-(3-amino-4-hydroxyphenyl)-1-(4-azidopiperidin-1-yl)ethanone
CID 166386958
2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029330
2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393419
2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 98021084
2-(3-chloro-4-fluorophenyl)-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 56905849
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 61148268
methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate
CID 170456736
1-[(5R)-5-hydroxy-3,3-dimethylazepan-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 125144727
1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea
CID 121061896

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone (CID 69309353) is 2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone is Nc1ccc(CC(=O)N2CCC(O)CC2)cc1O.
What is the InChIKey of 2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is HDVUSWZLDCUIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-11-2-1-9(7-12(11)17)8-13(18)15-5-3-10(16)4-6-15/h1-2,7,10,16-17H,3-6,8,14H2.
What are the key properties of 2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 250.30 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 69309353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).