2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone

C13H18N2O2 — CID 69337142

IUPAC2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone
SMILESNc1ccc(O)cc1CC(=O)N1CCCCC1
InChIInChI=1S/C13H18N2O2/c14-12-5-4-11(16)8-10(12)9-13(17)15-6-2-1-3-7-15/h4-5,8,16H,1-3,6-7,9,14H2
InChIKeyQJQLTJPWMMEQKE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.53
Rot. Bonds2

About 2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone

2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone (PubChem CID 69337142) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone
PubChem CID69337142
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone
SMILESNc1ccc(O)cc1CC(=O)N1CCCCC1
InChIInChI=1S/C13H18N2O2/c14-12-5-4-11(16)8-10(12)9-13(17)15-6-2-1-3-7-15/h4-5,8,16H,1-3,6-7,9,14H2
InChIKeyQJQLTJPWMMEQKE-UHFFFAOYSA-N
XLogP1.53
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 99991735
3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one
CID 169223305
2-amino-5-hydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 107075964
1-(azetidin-1-yl)-2-(3,4-diaminophenyl)ethanone
CID 54082676
2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone
CID 146087611
2-(2-amino-5-methylphenyl)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 99991754
(2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate
CID 2537018
2-(3,4-diaminoanilino)-1-piperidin-1-ylethanone
CID 106751115
2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone
CID 56923362
2-(4-aminophenyl)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 119836881
2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone
CID 69370465
6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one
CID 28921

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone (CID 69337142) is 2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone is Nc1ccc(O)cc1CC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone?
The InChIKey is QJQLTJPWMMEQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-12-5-4-11(16)8-10(12)9-13(17)15-6-2-1-3-7-15/h4-5,8,16H,1-3,6-7,9,14H2.
What are the key properties of 2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone?
2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone has a molecular weight of 234.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 69337142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).