bis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate

C30H42N2O4 — CID 118874290

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate
SMILESCC1(C)CC(OC(=O)c2ccc3ccc(C(=O)OC4CC(C)(C)NC(C)(C)C4)cc3c2)CC(C)(C)N1
InChIInChI=1S/C30H42N2O4/c1-27(2)15-23(16-28(3,4)31-27)35-25(33)20-11-9-19-10-12-21(14-22(19)13-20)26(34)36-24-17-29(5,6)32-30(7,8)18-24/h9-14,23-24,31-32H,15-18H2,1-8H3
InChIKeyHTYRUZKTHKXRDE-UHFFFAOYSA-N
MW494.68 g/mol
LogP5.77
Rot. Bonds4

About bis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate

bis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate (PubChem CID 118874290) has the molecular formula C30H42N2O4 and a molecular weight of 494.68 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate
PubChem CID118874290
Molecular FormulaC30H42N2O4
Molecular Weight494.68 g/mol
Exact Mass494.31
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate
SMILESCC1(C)CC(OC(=O)c2ccc3ccc(C(=O)OC4CC(C)(C)NC(C)(C)C4)cc3c2)CC(C)(C)N1
InChIInChI=1S/C30H42N2O4/c1-27(2)15-23(16-28(3,4)31-27)35-25(33)20-11-9-19-10-12-21(14-22(19)13-20)26(34)36-24-17-29(5,6)32-30(7,8)18-24/h9-14,23-24,31-32H,15-18H2,1-8H3
InChIKeyHTYRUZKTHKXRDE-UHFFFAOYSA-N
XLogP5.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.68
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid
CID 70231600
(2,2,6,6-tetramethylpiperidin-4-yl) 4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-2-yl]naphthalene-2-carboxylate
CID 118874466
(2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate
CID 19790577
(2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate
CID 118874362
(2,2,6,6-tetramethylpiperidin-4-yl) 8-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-2-yl]naphthalene-1-carboxylate
CID 118874333
(2,2,6,6-tetramethylpiperidin-4-yl) 4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylnaphthalen-1-yl]naphthalene-1-carboxylate
CID 118874405
tris(2,2,7,7-tetramethylazepan-4-yl) benzene-1,3,5-tricarboxylate
CID 122415009
6-O-methyl 2-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) naphthalene-2,6-dicarboxylate
CID 145333546
(2,2,6,6-tetramethylpiperidin-4-yl) 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate
CID 118874514
tetrakis(2,2,7,7-tetramethylazepan-4-yl) naphthalene-2,3,6,7-tetracarboxylate
CID 122418717
(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)benzoate
CID 129197852
(2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate
CID 54385727

Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate (CID 118874290) is bis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate is CC1(C)CC(OC(=O)c2ccc3ccc(C(=O)OC4CC(C)(C)NC(C)(C)C4)cc3c2)CC(C)(C)N1.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate?
The InChIKey is HTYRUZKTHKXRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O4/c1-27(2)15-23(16-28(3,4)31-27)35-25(33)20-11-9-19-10-12-21(14-22(19)13-20)26(34)36-24-17-29(5,6)32-30(7,8)18-24/h9-14,23-24,31-32H,15-18H2,1-8H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate has a molecular weight of 494.68 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate is sourced from PubChem (CID 118874290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).