3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one

C14H19NO3 — CID 169223305

IUPAC3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCc1cc(O)ccc1O)N1CCCCC1
InChIInChI=1S/C14H19NO3/c16-12-5-6-13(17)11(10-12)4-7-14(18)15-8-2-1-3-9-15/h5-6,10,16-17H,1-4,7-9H2
InChIKeyPLLJPZVBIKWFLM-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.04
Rot. Bonds3

About 3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one

3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one (PubChem CID 169223305) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one
PubChem CID169223305
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCc1cc(O)ccc1O)N1CCCCC1
InChIInChI=1S/C14H19NO3/c16-12-5-6-13(17)11(10-12)4-7-14(18)15-8-2-1-3-9-15/h5-6,10,16-17H,1-4,7-9H2
InChIKeyPLLJPZVBIKWFLM-UHFFFAOYSA-N
XLogP2.04
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one 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

1,5-bis(2,5-dihydroxyphenyl)pentan-3-one
CID 141060265
2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone
CID 69337142
2,5-dihydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 107723658
3-[3-hydroxy-9-(4-hydroxyphenyl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl]-1-piperidin-1-ylpropan-1-one
CID 66652661
2,5-dihydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 107722529
3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane
CID 143559381
15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one
CID 11794613
15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one
CID 10573249
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one
CID 110647409
(2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate
CID 2537018
3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one
CID 156745734

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one (CID 169223305) is 3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one is O=C(CCc1cc(O)ccc1O)N1CCCCC1.
What is the InChIKey of 3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is PLLJPZVBIKWFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-12-5-6-13(17)11(10-12)4-7-14(18)15-8-2-1-3-9-15/h5-6,10,16-17H,1-4,7-9H2.
What are the key properties of 3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one?
3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 249.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 169223305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).