methyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate

C13H25NO3 — CID 23094299

IUPACmethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
SMILESCOC(=O)C(C)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H25NO3/c1-10(11(15)16-6)17-14-12(2,3)8-7-9-13(14,4)5/h10H,7-9H2,1-6H3
InChIKeyRGGZZFRUAMAPEP-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.52
Rot. Bonds3

About methyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate

methyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate (PubChem CID 23094299) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
PubChem CID23094299
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
SMILESCOC(=O)C(C)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H25NO3/c1-10(11(15)16-6)17-14-12(2,3)8-7-9-13(14,4)5/h10H,7-9H2,1-6H3
InChIKeyRGGZZFRUAMAPEP-UHFFFAOYSA-N
XLogP2.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The IUPAC name of methyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate (CID 23094299) is methyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate.
What is the SMILES notation for methyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The canonical SMILES for methyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate is COC(=O)C(C)ON1C(C)(C)CCCC1(C)C.
What is the InChIKey of methyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The InChIKey is RGGZZFRUAMAPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(11(15)16-6)17-14-12(2,3)8-7-9-13(14,4)5/h10H,7-9H2,1-6H3.
What are the key properties of methyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
methyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate has a molecular weight of 243.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate is sourced from PubChem (CID 23094299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).