2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone

C13H18N2O3 — CID 62036900

IUPAC2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone
SMILESNC1CCCN(CC(=O)c2ccc(O)cc2O)C1
InChIInChI=1S/C13H18N2O3/c14-9-2-1-5-15(7-9)8-13(18)11-4-3-10(16)6-12(11)17/h3-4,6,9,16-17H,1-2,5,7-8,14H2
InChIKeyXVNFRUJGGDCVAN-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.70
Rot. Bonds3

About 2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone

2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone (PubChem CID 62036900) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone
PubChem CID62036900
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone
SMILESNC1CCCN(CC(=O)c2ccc(O)cc2O)C1
InChIInChI=1S/C13H18N2O3/c14-9-2-1-5-15(7-9)8-13(18)11-4-3-10(16)6-12(11)17/h3-4,6,9,16-17H,1-2,5,7-8,14H2
InChIKeyXVNFRUJGGDCVAN-UHFFFAOYSA-N
XLogP0.70
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone
CID 62037871
1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798467
1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 79166787
1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 43219698
2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62037679
1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one
CID 60650473
1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886074
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2,4-dihydroxyphenyl)ethanone
CID 82749840
2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone
CID 62036122
ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 7198537
(2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422462
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone (CID 62036900) is 2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone is NC1CCCN(CC(=O)c2ccc(O)cc2O)C1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone?
The InChIKey is XVNFRUJGGDCVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-9-2-1-5-15(7-9)8-13(18)11-4-3-10(16)6-12(11)17/h3-4,6,9,16-17H,1-2,5,7-8,14H2.
What are the key properties of 2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone?
2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone has a molecular weight of 250.30 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone is sourced from PubChem (CID 62036900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).