3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea;hydrochloride

C12H26ClN3O2 — CID 2939933

IUPAC3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea;hydrochloride
SMILESCN(C)C(=O)NC1CC(C)(C)N(O)C(C)(C)C1.Cl
InChIInChI=1S/C12H25N3O2.ClH/c1-11(2)7-9(13-10(16)14(5)6)8-12(3,4)15(11)17;/h9,17H,7-8H2,1-6H3,(H,13,16);1H
InChIKeyBMISCZCAYLNGSG-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.09
Rot. Bonds1

About 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea;hydrochloride

3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea;hydrochloride (PubChem CID 2939933) has the molecular formula C12H26ClN3O2 and a molecular weight of 279.81 g/mol. Its IUPAC name is 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea;hydrochloride.

Molecular Properties

Compound Name3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea;hydrochloride
PubChem CID2939933
Molecular FormulaC12H26ClN3O2
Molecular Weight279.81 g/mol
Exact Mass279.17
IUPAC Name3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea;hydrochloride
SMILESCN(C)C(=O)NC1CC(C)(C)N(O)C(C)(C)C1.Cl
InChIInChI=1S/C12H25N3O2.ClH/c1-11(2)7-9(13-10(16)14(5)6)8-12(3,4)15(11)17;/h9,17H,7-8H2,1-6H3,(H,13,16);1H
InChIKeyBMISCZCAYLNGSG-UHFFFAOYSA-N
XLogP2.09
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea;hydrochloride 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 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea;hydrochloride?
The IUPAC name of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea;hydrochloride (CID 2939933) is 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea;hydrochloride.
What is the SMILES notation for 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea;hydrochloride?
The canonical SMILES for 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea;hydrochloride is CN(C)C(=O)NC1CC(C)(C)N(O)C(C)(C)C1.Cl.
What is the InChIKey of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea;hydrochloride?
The InChIKey is BMISCZCAYLNGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.ClH/c1-11(2)7-9(13-10(16)14(5)6)8-12(3,4)15(11)17;/h9,17H,7-8H2,1-6H3,(H,13,16);1H.
What are the key properties of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea;hydrochloride?
3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea;hydrochloride is sourced from PubChem (CID 2939933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).