4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphthalic acid

C18H23NO6 — CID 118006567

IUPAC4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphthalic acid
SMILESCC1(C)CC(OC(=O)c2ccc(C(=O)O)c(C(=O)O)c2)CC(C)(C)N1
InChIInChI=1S/C18H23NO6/c1-17(2)8-11(9-18(3,4)19-17)25-16(24)10-5-6-12(14(20)21)13(7-10)15(22)23/h5-7,11,19H,8-9H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyJRLJBBZKNBGELY-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.55
Rot. Bonds4

About 4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphthalic acid

4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphthalic acid (PubChem CID 118006567) has the molecular formula C18H23NO6 and a molecular weight of 349.38 g/mol. Its IUPAC name is 4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphthalic acid.

Molecular Properties

Compound Name4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphthalic acid
PubChem CID118006567
Molecular FormulaC18H23NO6
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Name4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphthalic acid
SMILESCC1(C)CC(OC(=O)c2ccc(C(=O)O)c(C(=O)O)c2)CC(C)(C)N1
InChIInChI=1S/C18H23NO6/c1-17(2)8-11(9-18(3,4)19-17)25-16(24)10-5-6-12(14(20)21)13(7-10)15(22)23/h5-7,11,19H,8-9H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyJRLJBBZKNBGELY-UHFFFAOYSA-N
XLogP2.55
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphthalic acid?
The IUPAC name of 4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphthalic acid (CID 118006567) is 4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphthalic acid.
What is the SMILES notation for 4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphthalic acid?
The canonical SMILES for 4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphthalic acid is CC1(C)CC(OC(=O)c2ccc(C(=O)O)c(C(=O)O)c2)CC(C)(C)N1.
What is the InChIKey of 4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphthalic acid?
The InChIKey is JRLJBBZKNBGELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6/c1-17(2)8-11(9-18(3,4)19-17)25-16(24)10-5-6-12(14(20)21)13(7-10)15(22)23/h5-7,11,19H,8-9H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphthalic acid?
4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphthalic acid has a molecular weight of 349.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphthalic acid is sourced from PubChem (CID 118006567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).