piperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone

C12H15NO4 — CID 96710202

IUPACpiperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(O)cc1O)C1CCNCC1
InChIInChI=1S/C12H15NO4/c14-8-5-9(15)11(10(16)6-8)12(17)7-1-3-13-4-2-7/h5-7,13-16H,1-4H2
InChIKeyUITCCGSKKDOROJ-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.99
Rot. Bonds2

About piperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone

piperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone (PubChem CID 96710202) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is piperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone.

Molecular Properties

Compound Namepiperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone
PubChem CID96710202
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namepiperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(O)cc1O)C1CCNCC1
InChIInChI=1S/C12H15NO4/c14-8-5-9(15)11(10(16)6-8)12(17)7-1-3-13-4-2-7/h5-7,13-16H,1-4H2
InChIKeyUITCCGSKKDOROJ-UHFFFAOYSA-N
XLogP0.99
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze piperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone 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 piperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone?
The IUPAC name of piperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone (CID 96710202) is piperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone.
What is the SMILES notation for piperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone?
The canonical SMILES for piperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone is O=C(c1c(O)cc(O)cc1O)C1CCNCC1.
What is the InChIKey of piperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone?
The InChIKey is UITCCGSKKDOROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-8-5-9(15)11(10(16)6-8)12(17)7-1-3-13-4-2-7/h5-7,13-16H,1-4H2.
What are the key properties of piperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone?
piperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone has a molecular weight of 237.25 g/mol, XLogP of 0.99, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-(2,4,6-trihydroxyphenyl)methanone is sourced from PubChem (CID 96710202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).