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

C16H31NO4 — CID 11185705

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-ethoxy-2,2-dimethylpropanoate
SMILESCCOCC(C)(C)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C16H31NO4/c1-8-20-11-14(2,3)13(18)21-12-9-15(4,5)17(19)16(6,7)10-12/h12,19H,8-11H2,1-7H3
InChIKeyKYKODHLSPHSFIP-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.00
Rot. Bonds5

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

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-ethoxy-2,2-dimethylpropanoate (PubChem CID 11185705) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-ethoxy-2,2-dimethylpropanoate.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-ethoxy-2,2-dimethylpropanoate
PubChem CID11185705
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-ethoxy-2,2-dimethylpropanoate
SMILESCCOCC(C)(C)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C16H31NO4/c1-8-20-11-14(2,3)13(18)21-12-9-15(4,5)17(19)16(6,7)10-12/h12,19H,8-11H2,1-7H3
InChIKeyKYKODHLSPHSFIP-UHFFFAOYSA-N
XLogP3.00
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-ethoxy-2,2-dimethylpropanoate?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-ethoxy-2,2-dimethylpropanoate (CID 11185705) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-ethoxy-2,2-dimethylpropanoate.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-ethoxy-2,2-dimethylpropanoate?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-ethoxy-2,2-dimethylpropanoate is CCOCC(C)(C)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-ethoxy-2,2-dimethylpropanoate?
The InChIKey is KYKODHLSPHSFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-8-20-11-14(2,3)13(18)21-12-9-15(4,5)17(19)16(6,7)10-12/h12,19H,8-11H2,1-7H3.
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-ethoxy-2,2-dimethylpropanoate?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-ethoxy-2,2-dimethylpropanoate has a molecular weight of 301.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-ethoxy-2,2-dimethylpropanoate is sourced from PubChem (CID 11185705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).