4-azaniumyl-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate

C10H20N2O3 — CID 7157171

IUPAC4-azaniumyl-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC1(C)CC([NH3+])(C(=O)[O-])CC(C)(C)N1O
InChIInChI=1S/C10H20N2O3/c1-8(2)5-10(11,7(13)14)6-9(3,4)12(8)15/h15H,5-6,11H2,1-4H3,(H,13,14)
InChIKeyBYTZPINCZITWEC-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.24
Rot. Bonds1

About 4-azaniumyl-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate

4-azaniumyl-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate (PubChem CID 7157171) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-azaniumyl-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name4-azaniumyl-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
PubChem CID7157171
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-azaniumyl-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC1(C)CC([NH3+])(C(=O)[O-])CC(C)(C)N1O
InChIInChI=1S/C10H20N2O3/c1-8(2)5-10(11,7(13)14)6-9(3,4)12(8)15/h15H,5-6,11H2,1-4H3,(H,13,14)
InChIKeyBYTZPINCZITWEC-UHFFFAOYSA-N
XLogP-1.24
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-azaniumyl-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The IUPAC name of 4-azaniumyl-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate (CID 7157171) is 4-azaniumyl-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate.
What is the SMILES notation for 4-azaniumyl-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The canonical SMILES for 4-azaniumyl-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate is CC1(C)CC([NH3+])(C(=O)[O-])CC(C)(C)N1O.
What is the InChIKey of 4-azaniumyl-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The InChIKey is BYTZPINCZITWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(2)5-10(11,7(13)14)6-9(3,4)12(8)15/h15H,5-6,11H2,1-4H3,(H,13,14).
What are the key properties of 4-azaniumyl-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
4-azaniumyl-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate has a molecular weight of 216.28 g/mol, XLogP of -1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaniumyl-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate is sourced from PubChem (CID 7157171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).