1-piperidin-4-ylpyrrole-2,5-diol

C9H14N2O2 — CID 54462773

IUPAC1-piperidin-4-ylpyrrole-2,5-diol
SMILESOc1ccc(O)n1C1CCNCC1
InChIInChI=1S/C9H14N2O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7/h1-2,7,10,12-13H,3-6H2
InChIKeyXCTGODZUCLHSIM-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.82
Rot. Bonds1

About 1-piperidin-4-ylpyrrole-2,5-diol

1-piperidin-4-ylpyrrole-2,5-diol (PubChem CID 54462773) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-piperidin-4-ylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-piperidin-4-ylpyrrole-2,5-diol
PubChem CID54462773
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-piperidin-4-ylpyrrole-2,5-diol
SMILESOc1ccc(O)n1C1CCNCC1
InChIInChI=1S/C9H14N2O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7/h1-2,7,10,12-13H,3-6H2
InChIKeyXCTGODZUCLHSIM-UHFFFAOYSA-N
XLogP0.82
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethylpyrrole-2,5-diol
CID 54068298
1-Pentylpyrrole-2,5-diol
CID 54382624
1-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol
CID 123225679
1-(Piperidin-4-ylmethyl)pyrrole-2,5-diol
CID 53633036
3-(2,5-Dihydroxypyrrol-1-yl)propyl-ethyl-dimethylazanium
CID 53638599
4-(2,5-Dihydroxypyrrol-1-yl)-2,2,6,6-tetramethylpiperidine-1-carbaldehyde
CID 53666381
1-Heptylpyrrole-2,5-diol
CID 53681999
3-Methyl-1-[2-(methylamino)ethyl]pyrrole-2,5-diol
CID 53700085
3-(2,5-Dihydroxypyrrol-1-yl)propyl-hexadecyl-dimethylazanium
CID 53718629
1-Butan-2-ylpyrrole-2,5-diol
CID 53733042
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]prop-2-enamide
CID 53737679
1-[3-(Diethylamino)propyl]pyrrole-2,5-diol
CID 53794744

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylpyrrole-2,5-diol?
The IUPAC name of 1-piperidin-4-ylpyrrole-2,5-diol (CID 54462773) is 1-piperidin-4-ylpyrrole-2,5-diol.
What is the SMILES notation for 1-piperidin-4-ylpyrrole-2,5-diol?
The canonical SMILES for 1-piperidin-4-ylpyrrole-2,5-diol is Oc1ccc(O)n1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylpyrrole-2,5-diol?
The InChIKey is XCTGODZUCLHSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7/h1-2,7,10,12-13H,3-6H2.
What are the key properties of 1-piperidin-4-ylpyrrole-2,5-diol?
1-piperidin-4-ylpyrrole-2,5-diol has a molecular weight of 182.22 g/mol, XLogP of 0.82, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylpyrrole-2,5-diol is sourced from PubChem (CID 54462773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).