1-amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C10H22N4O — CID 67555179

IUPAC1-amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(N(N)C(N)=O)CC(C)(C)N1
InChIInChI=1S/C10H22N4O/c1-9(2)5-7(14(12)8(11)15)6-10(3,4)13-9/h7,13H,5-6,12H2,1-4H3,(H2,11,15)
InChIKeyAPKHWNLUOWDMMR-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.55
Rot. Bonds1

About 1-amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 67555179) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID67555179
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name1-amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(N(N)C(N)=O)CC(C)(C)N1
InChIInChI=1S/C10H22N4O/c1-9(2)5-7(14(12)8(11)15)6-10(3,4)13-9/h7,13H,5-6,12H2,1-4H3,(H2,11,15)
InChIKeyAPKHWNLUOWDMMR-UHFFFAOYSA-N
XLogP0.55
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-Acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-aminourea
CID 18955667
1-Amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 19609577
1-Amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
CID 19609583
1-Butyl-3-(2-ethylpiperidin-1-yl)urea
CID 56999818
1-Ethyl-3-(2-ethylpiperidin-1-yl)urea
CID 57128033
1-(2-Ethylpiperidin-1-yl)-3-propylurea
CID 57254165
1-Tert-butyl-3-(2-methylpiperidin-1-yl)urea
CID 57266490
1-Tert-butyl-3-(2-ethylpiperidin-1-yl)urea
CID 57319630
1-Amino-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
CID 67555565
1-(1-Acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea
CID 67821542
3-Butyl-1-sulfanyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)urea
CID 88330167
1-(2,2-Dimethylpiperidin-1-yl)-3-hexadecylurea
CID 139748396

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 67555179) is 1-amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC1(C)CC(N(N)C(N)=O)CC(C)(C)N1.
What is the InChIKey of 1-amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is APKHWNLUOWDMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-9(2)5-7(14(12)8(11)15)6-10(3,4)13-9/h7,13H,5-6,12H2,1-4H3,(H2,11,15).
What are the key properties of 1-amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 214.31 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 67555179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).