1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol

C15H18N2O3 — CID 91489027

IUPAC1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol
SMILESOc1cccc(-n2c(O)cc(N3CCCCC3)c2O)c1
InChIInChI=1S/C15H18N2O3/c18-12-6-4-5-11(9-12)17-14(19)10-13(15(17)20)16-7-2-1-3-8-16/h4-6,9-10,18-20H,1-3,7-8H2
InChIKeyZXTHEDWSIPUJDU-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.58
Rot. Bonds2

About 1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol

1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol (PubChem CID 91489027) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol
PubChem CID91489027
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol
SMILESOc1cccc(-n2c(O)cc(N3CCCCC3)c2O)c1
InChIInChI=1S/C15H18N2O3/c18-12-6-4-5-11(9-12)17-14(19)10-13(15(17)20)16-7-2-1-3-8-16/h4-6,9-10,18-20H,1-3,7-8H2
InChIKeyZXTHEDWSIPUJDU-UHFFFAOYSA-N
XLogP2.58
TPSA68.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol?
The IUPAC name of 1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol (CID 91489027) is 1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol is Oc1cccc(-n2c(O)cc(N3CCCCC3)c2O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol?
The InChIKey is ZXTHEDWSIPUJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-12-6-4-5-11(9-12)17-14(19)10-13(15(17)20)16-7-2-1-3-8-16/h4-6,9-10,18-20H,1-3,7-8H2.
What are the key properties of 1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol?
1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol has a molecular weight of 274.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol is sourced from PubChem (CID 91489027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).