bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-2,4-dicarboxylate;2,6-diethyl-N,N,1,2,3,6-hexamethylpiperidin-4-amine

C75H130N6O11 — CID 159841820

IUPACbis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-2,4-dicarboxylate;2,6-diethyl-N,N,1,2,3,6-hexamethylpiperidin-4-amine
SMILESCC1(C)CC(OC(=O)C2CC(C(=O)OC3CC(C)(C)NC(C)(C)C3)OC3(CCCCC3)O2)CC(C)(C)N1.CCC1(C)CC(N(C)C)C(C)C(C)(CC)N1C.COc1ccc(C=C(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)cc1
InChIInChI=1S/C31H48N2O5.C29H50N2O6.C15H32N2/c1-28(2)17-23(18-29(3,4)32(28)9)37-26(34)25(16-21-12-14-22(36-11)15-13-21)27(35)38-24-19-30(5,6)33(10)31(7,8)20-24;1-25(2)15-19(16-26(3,4)30-25)34-23(32)21-14-22(37-29(36-21)12-10-9-11-13-29)24(33)35-20-17-27(5,6)31-28(7,8)18-20;1-9-14(4)11-13(16(6)7)12(3)15(5,10-2)17(14)8/h12-16,23-24H,17-20H2,1-11H3;19-22,30-31H,9-18H2,1-8H3;12-13H,9-11H2,1-8H3
InChIKeyNOTUTERNKBBOHA-UHFFFAOYSA-N
MW1291.90 g/mol
LogP13.22
Rot. Bonds13

About bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-2,4-dicarboxylate;2,6-diethyl-N,N,1,2,3,6-hexamethylpiperidin-4-amine

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-2,4-dicarboxylate;2,6-diethyl-N,N,1,2,3,6-hexamethylpiperidin-4-amine (PubChem CID 159841820) has the molecular formula C75H130N6O11 and a molecular weight of 1291.90 g/mol. Its IUPAC name is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-2,4-dicarboxylate;2,6-diethyl-N,N,1,2,3,6-hexamethylpiperidin-4-amine.

Molecular Properties

Compound Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-2,4-dicarboxylate;2,6-diethyl-N,N,1,2,3,6-hexamethylpiperidin-4-amine
PubChem CID159841820
Molecular FormulaC75H130N6O11
Molecular Weight1291.90 g/mol
Exact Mass1290.98
IUPAC Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-2,4-dicarboxylate;2,6-diethyl-N,N,1,2,3,6-hexamethylpiperidin-4-amine
SMILESCC1(C)CC(OC(=O)C2CC(C(=O)OC3CC(C)(C)NC(C)(C)C3)OC3(CCCCC3)O2)CC(C)(C)N1.CCC1(C)CC(N(C)C)C(C)C(C)(CC)N1C.COc1ccc(C=C(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)cc1
InChIInChI=1S/C31H48N2O5.C29H50N2O6.C15H32N2/c1-28(2)17-23(18-29(3,4)32(28)9)37-26(34)25(16-21-12-14-22(36-11)15-13-21)27(35)38-24-19-30(5,6)33(10)31(7,8)20-24;1-25(2)15-19(16-26(3,4)30-25)34-23(32)21-14-22(37-29(36-21)12-10-9-11-13-29)24(33)35-20-17-27(5,6)31-28(7,8)18-20;1-9-14(4)11-13(16(6)7)12(3)15(5,10-2)17(14)8/h12-16,23-24H,17-20H2,1-11H3;19-22,30-31H,9-18H2,1-8H3;12-13H,9-11H2,1-8H3
InChIKeyNOTUTERNKBBOHA-UHFFFAOYSA-N
XLogP13.22
TPSA169.91 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001291.90
LogP ≤ 513.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-2,4-dicarboxylate;2,6-diethyl-N,N,1,2,3,6-hexamethylpiperidin-4-amine?
The IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-2,4-dicarboxylate;2,6-diethyl-N,N,1,2,3,6-hexamethylpiperidin-4-amine (CID 159841820) is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-2,4-dicarboxylate;2,6-diethyl-N,N,1,2,3,6-hexamethylpiperidin-4-amine.
What is the SMILES notation for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-2,4-dicarboxylate;2,6-diethyl-N,N,1,2,3,6-hexamethylpiperidin-4-amine?
The canonical SMILES for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-2,4-dicarboxylate;2,6-diethyl-N,N,1,2,3,6-hexamethylpiperidin-4-amine is CC1(C)CC(OC(=O)C2CC(C(=O)OC3CC(C)(C)NC(C)(C)C3)OC3(CCCCC3)O2)CC(C)(C)N1.CCC1(C)CC(N(C)C)C(C)C(C)(CC)N1C.COc1ccc(C=C(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)cc1.
What is the InChIKey of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-2,4-dicarboxylate;2,6-diethyl-N,N,1,2,3,6-hexamethylpiperidin-4-amine?
The InChIKey is NOTUTERNKBBOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48N2O5.C29H50N2O6.C15H32N2/c1-28(2)17-23(18-29(3,4)32(28)9)37-26(34)25(16-21-12-14-22(36-11)15-13-21)27(35)38-24-19-30(5,6)33(10)31(7,8)20-24;1-25(2)15-19(16-26(3,4)30-25)34-23(32)21-14-22(37-29(36-21)12-10-9-11-13-29)24(33)35-20-17-27(5,6)31-28(7,8)18-20;1-9-14(4)11-13(16(6)7)12(3)15(5,10-2)17(14)8/h12-16,23-24H,17-20H2,1-11H3;19-22,30-31H,9-18H2,1-8H3;12-13H,9-11H2,1-8H3.
What are the key properties of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-2,4-dicarboxylate;2,6-diethyl-N,N,1,2,3,6-hexamethylpiperidin-4-amine?
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-2,4-dicarboxylate;2,6-diethyl-N,N,1,2,3,6-hexamethylpiperidin-4-amine has a molecular weight of 1291.90 g/mol, XLogP of 13.22, 13 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-2,4-dicarboxylate;2,6-diethyl-N,N,1,2,3,6-hexamethylpiperidin-4-amine is sourced from PubChem (CID 159841820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).