1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C14H29N3O — CID 108896891

IUPAC1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC(C)(C)NC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H29N3O/c1-12(2,3)16-11(18)15-10-8-13(4,5)17-14(6,7)9-10/h10,17H,8-9H2,1-7H3,(H2,15,16,18)
InChIKeyVSWAGSCYAFGWBL-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.39
Rot. Bonds1

About 1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 108896891) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID108896891
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC(C)(C)NC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H29N3O/c1-12(2,3)16-11(18)15-10-8-13(4,5)17-14(6,7)9-10/h10,17H,8-9H2,1-7H3,(H2,15,16,18)
InChIKeyVSWAGSCYAFGWBL-UHFFFAOYSA-N
XLogP2.39
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 108896891) is 1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC(C)(C)NC(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is VSWAGSCYAFGWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(2,3)16-11(18)15-10-8-13(4,5)17-14(6,7)9-10/h10,17H,8-9H2,1-7H3,(H2,15,16,18).
What are the key properties of 1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 255.41 g/mol, XLogP of 2.39, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 108896891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).