2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone

C13H18N2O3 — CID 114764422

IUPAC2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone
SMILESNc1c(O)cccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C13H18N2O3/c14-13-10(16)5-4-6-11(13)18-9-12(17)15-7-2-1-3-8-15/h4-6,16H,1-3,7-9,14H2
InChIKeyXAKRFYDLKXJOTP-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.37
Rot. Bonds3

About 2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone

2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone (PubChem CID 114764422) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone
PubChem CID114764422
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone
SMILESNc1c(O)cccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C13H18N2O3/c14-13-10(16)5-4-6-11(13)18-9-12(17)15-7-2-1-3-8-15/h4-6,16H,1-3,7-9,14H2
InChIKeyXAKRFYDLKXJOTP-UHFFFAOYSA-N
XLogP1.37
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-3-hydroxyphenoxy)-1-(azepan-1-yl)ethanone
CID 114764292
2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
CID 54931191
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
CID 63090854
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
CID 63090647
3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 61380056
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 79778699
2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 43143553
2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 4992160
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
CID 112788345
5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 43379980
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone
CID 61312995

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone (CID 114764422) is 2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone is Nc1c(O)cccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone?
The InChIKey is XAKRFYDLKXJOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-13-10(16)5-4-6-11(13)18-9-12(17)15-7-2-1-3-8-15/h4-6,16H,1-3,7-9,14H2.
What are the key properties of 2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone?
2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone has a molecular weight of 250.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone is sourced from PubChem (CID 114764422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).