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

C12H25N3O2 — CID 729206

IUPAC3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C12H25N3O2/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)
InChIKeyYNQJGNRWCBGNIP-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.67
Rot. Bonds1

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

3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea (PubChem CID 729206) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea
PubChem CID729206
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C12H25N3O2/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)
InChIKeyYNQJGNRWCBGNIP-UHFFFAOYSA-N
XLogP1.67
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea?
The IUPAC name of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea (CID 729206) is 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea is CN(C)C(=O)NC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea?
The InChIKey is YNQJGNRWCBGNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/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).
What are the key properties of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea?
3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,1-dimethylurea has a molecular weight of 243.35 g/mol, XLogP of 1.67, 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 is sourced from PubChem (CID 729206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).