1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(5-methyl-1,3-thiazol-2-yl)piperidin-4-ol

C18H24N2O3S — CID 11739537

IUPAC1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(5-methyl-1,3-thiazol-2-yl)piperidin-4-ol
SMILESCc1cnc(C2(O)CCN(CC(O)c3ccc(O)c(C)c3)CC2)s1
InChIInChI=1S/C18H24N2O3S/c1-12-9-14(3-4-15(12)21)16(22)11-20-7-5-18(23,6-8-20)17-19-10-13(2)24-17/h3-4,9-10,16,21-23H,5-8,11H2,1-2H3
InChIKeyOPLUXVYAGQWFGU-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.48
Rot. Bonds4

About 1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(5-methyl-1,3-thiazol-2-yl)piperidin-4-ol

1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(5-methyl-1,3-thiazol-2-yl)piperidin-4-ol (PubChem CID 11739537) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(5-methyl-1,3-thiazol-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(5-methyl-1,3-thiazol-2-yl)piperidin-4-ol
PubChem CID11739537
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(5-methyl-1,3-thiazol-2-yl)piperidin-4-ol
SMILESCc1cnc(C2(O)CCN(CC(O)c3ccc(O)c(C)c3)CC2)s1
InChIInChI=1S/C18H24N2O3S/c1-12-9-14(3-4-15(12)21)16(22)11-20-7-5-18(23,6-8-20)17-19-10-13(2)24-17/h3-4,9-10,16,21-23H,5-8,11H2,1-2H3
InChIKeyOPLUXVYAGQWFGU-UHFFFAOYSA-N
XLogP2.48
TPSA76.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(5-methyl-1,3-thiazol-2-yl)piperidin-4-ol 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-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(5-methyl-1,3-thiazol-2-yl)piperidin-4-ol?
The IUPAC name of 1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(5-methyl-1,3-thiazol-2-yl)piperidin-4-ol (CID 11739537) is 1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(5-methyl-1,3-thiazol-2-yl)piperidin-4-ol.
What is the SMILES notation for 1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(5-methyl-1,3-thiazol-2-yl)piperidin-4-ol?
The canonical SMILES for 1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(5-methyl-1,3-thiazol-2-yl)piperidin-4-ol is Cc1cnc(C2(O)CCN(CC(O)c3ccc(O)c(C)c3)CC2)s1.
What is the InChIKey of 1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(5-methyl-1,3-thiazol-2-yl)piperidin-4-ol?
The InChIKey is OPLUXVYAGQWFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-12-9-14(3-4-15(12)21)16(22)11-20-7-5-18(23,6-8-20)17-19-10-13(2)24-17/h3-4,9-10,16,21-23H,5-8,11H2,1-2H3.
What are the key properties of 1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(5-methyl-1,3-thiazol-2-yl)piperidin-4-ol?
1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(5-methyl-1,3-thiazol-2-yl)piperidin-4-ol has a molecular weight of 348.47 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(5-methyl-1,3-thiazol-2-yl)piperidin-4-ol is sourced from PubChem (CID 11739537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).