3-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl benzene-1,3-dicarboxylate

C18H25NO5 — CID 57189761

IUPAC3-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cccc(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)c1
InChIInChI=1S/C18H25NO5/c1-17(2)10-14(11-18(3,4)19(17)22)24-16(21)13-8-6-7-12(9-13)15(20)23-5/h6-9,14,22H,10-11H2,1-5H3
InChIKeyWBHMFPNYYUBSKJ-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.04
Rot. Bonds3

About 3-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl benzene-1,3-dicarboxylate

3-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl benzene-1,3-dicarboxylate (PubChem CID 57189761) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl benzene-1,3-dicarboxylate.

Molecular Properties

Compound Name3-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl benzene-1,3-dicarboxylate
PubChem CID57189761
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name3-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cccc(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)c1
InChIInChI=1S/C18H25NO5/c1-17(2)10-14(11-18(3,4)19(17)22)24-16(21)13-8-6-7-12(9-13)15(20)23-5/h6-9,14,22H,10-11H2,1-5H3
InChIKeyWBHMFPNYYUBSKJ-UHFFFAOYSA-N
XLogP3.04
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl benzene-1,3-dicarboxylate?
The IUPAC name of 3-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl benzene-1,3-dicarboxylate (CID 57189761) is 3-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl benzene-1,3-dicarboxylate.
What is the SMILES notation for 3-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl benzene-1,3-dicarboxylate?
The canonical SMILES for 3-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl benzene-1,3-dicarboxylate is COC(=O)c1cccc(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)c1.
What is the InChIKey of 3-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl benzene-1,3-dicarboxylate?
The InChIKey is WBHMFPNYYUBSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-17(2)10-14(11-18(3,4)19(17)22)24-16(21)13-8-6-7-12(9-13)15(20)23-5/h6-9,14,22H,10-11H2,1-5H3.
What are the key properties of 3-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl benzene-1,3-dicarboxylate?
3-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl benzene-1,3-dicarboxylate has a molecular weight of 335.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl benzene-1,3-dicarboxylate is sourced from PubChem (CID 57189761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).