1-[(2-hydroxyphenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol

C20H27N3O3S — CID 100644517

IUPAC1-[(2-hydroxyphenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol
SMILESOc1ccccc1CN1CCC(O)(c2csc(CN3CCOCC3)n2)CC1
InChIInChI=1S/C20H27N3O3S/c24-17-4-2-1-3-16(17)13-22-7-5-20(25,6-8-22)18-15-27-19(21-18)14-23-9-11-26-12-10-23/h1-4,15,24-25H,5-14H2
InChIKeyVHNMGCQVAIFCLH-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.16
Rot. Bonds5

About 1-[(2-hydroxyphenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol

1-[(2-hydroxyphenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol (PubChem CID 100644517) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol
PubChem CID100644517
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name1-[(2-hydroxyphenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol
SMILESOc1ccccc1CN1CCC(O)(c2csc(CN3CCOCC3)n2)CC1
InChIInChI=1S/C20H27N3O3S/c24-17-4-2-1-3-16(17)13-22-7-5-20(25,6-8-22)18-15-27-19(21-18)14-23-9-11-26-12-10-23/h1-4,15,24-25H,5-14H2
InChIKeyVHNMGCQVAIFCLH-UHFFFAOYSA-N
XLogP2.16
TPSA69.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-[(2-hydroxyphenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-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-hydroxyphenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol (CID 100644517) is 1-[(2-hydroxyphenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol is Oc1ccccc1CN1CCC(O)(c2csc(CN3CCOCC3)n2)CC1.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol?
The InChIKey is VHNMGCQVAIFCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c24-17-4-2-1-3-16(17)13-22-7-5-20(25,6-8-22)18-15-27-19(21-18)14-23-9-11-26-12-10-23/h1-4,15,24-25H,5-14H2.
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol?
1-[(2-hydroxyphenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol has a molecular weight of 389.52 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol is sourced from PubChem (CID 100644517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).