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

C15H31N3O2 — CID 111503774

IUPAC1-(4-hydroxy-2-methylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC(CCO)CNC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C15H31N3O2/c1-11(6-7-19)10-16-13(20)17-12-8-14(2,3)18-15(4,5)9-12/h11-12,18-19H,6-10H2,1-5H3,(H2,16,17,20)
InChIKeyNIJAPIYQKAYCFT-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.61
Rot. Bonds5

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

1-(4-hydroxy-2-methylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 111503774) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID111503774
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-(4-hydroxy-2-methylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC(CCO)CNC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C15H31N3O2/c1-11(6-7-19)10-16-13(20)17-12-8-14(2,3)18-15(4,5)9-12/h11-12,18-19H,6-10H2,1-5H3,(H2,16,17,20)
InChIKeyNIJAPIYQKAYCFT-UHFFFAOYSA-N
XLogP1.61
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2-phenylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 111450418
1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 111337745
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 54455587
1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111508663
1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111506189
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111506932
1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108896891
2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 113225451
1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 126454365
5-amino-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
CID 104684739
4-(azetidin-3-ylamino)-3-methylbutan-1-ol
CID 66090650
(2S)-2-amino-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
CID 61247695

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 111503774) is 1-(4-hydroxy-2-methylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-(4-hydroxy-2-methylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC(CCO)CNC(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-(4-hydroxy-2-methylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is NIJAPIYQKAYCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-11(6-7-19)10-16-13(20)17-12-8-14(2,3)18-15(4,5)9-12/h11-12,18-19H,6-10H2,1-5H3,(H2,16,17,20).
What are the key properties of 1-(4-hydroxy-2-methylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-(4-hydroxy-2-methylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 285.43 g/mol, XLogP of 1.61, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylbutyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 111503774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).