bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) hexanedioate;4-(4-dodecoxyphenyl)morpholine;1-(2-dodecoxyphenyl)piperidine;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

C168H281N11O21S — CID 54056907

IUPACbis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) hexanedioate;4-(4-dodecoxyphenyl)morpholine;1-(2-dodecoxyphenyl)piperidine;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESCC1(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(Cc3ccccc3)C(C)(C)C2)CC(C)(C)N1Cc1ccccc1.CCCCCCCCCCCCOc1ccc(N2CCOCC2)cc1.CCCCCCCCCCCCOc1ccccc1N1CCCCC1.CN1C(C)(C)CC(OC(=O)CCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.Cc1ccc(N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C44H78N4O8.C42H64N2O4.C26H48N2O4.C23H39NO.C22H37NO2.C11H15NO2S/c1-37(2)19-27(20-38(3,4)45-37)53-33(49)17-31(35(51)55-29-23-41(9,10)47-42(11,12)24-29)32(36(52)56-30-25-43(13,14)48-44(15,16)26-30)18-34(50)54-28-21-39(5,6)46-40(7,8)22-28;1-39(2)27-35(28-40(3,4)43(39)31-33-21-15-13-16-22-33)47-37(45)25-19-11-9-10-12-20-26-38(46)48-36-29-41(5,6)44(42(7,8)30-36)32-34-23-17-14-18-24-34;1-23(2)15-19(16-24(3,4)27(23)9)31-21(29)13-11-12-14-22(30)32-20-17-25(5,6)28(10)26(7,8)18-20;1-2-3-4-5-6-7-8-9-10-16-21-25-23-18-13-12-17-22(23)24-19-14-11-15-20-24;1-2-3-4-5-6-7-8-9-10-11-18-25-22-14-12-21(13-15-22)23-16-19-24-20-17-23;1-10-2-4-11(5-3-10)12-6-8-15(13,14)9-7-12/h27-32,45-48H,17-26H2,1-16H3;13-18,21-24,35-36H,9-12,19-20,25-32H2,1-8H3;19-20H,11-18H2,1-10H3;12-13,17-18H,2-11,14-16,19-21H2,1H3;12-15H,2-11,16-20H2,1H3;2-5H,6-9H2,1H3
InChIKeyLWWWPVJKHHPANE-UHFFFAOYSA-N
MW2823.22 g/mol
LogP35.01
Rot. Bonds60

About bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) hexanedioate;4-(4-dodecoxyphenyl)morpholine;1-(2-dodecoxyphenyl)piperidine;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) hexanedioate;4-(4-dodecoxyphenyl)morpholine;1-(2-dodecoxyphenyl)piperidine;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (PubChem CID 54056907) has the molecular formula C168H281N11O21S and a molecular weight of 2823.22 g/mol. Its IUPAC name is bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) hexanedioate;4-(4-dodecoxyphenyl)morpholine;1-(2-dodecoxyphenyl)piperidine;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Namebis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) hexanedioate;4-(4-dodecoxyphenyl)morpholine;1-(2-dodecoxyphenyl)piperidine;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
PubChem CID54056907
Molecular FormulaC168H281N11O21S
Molecular Weight2823.22 g/mol
Exact Mass2821.10
IUPAC Namebis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) hexanedioate;4-(4-dodecoxyphenyl)morpholine;1-(2-dodecoxyphenyl)piperidine;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
SMILESCC1(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(Cc3ccccc3)C(C)(C)C2)CC(C)(C)N1Cc1ccccc1.CCCCCCCCCCCCOc1ccc(N2CCOCC2)cc1.CCCCCCCCCCCCOc1ccccc1N1CCCCC1.CN1C(C)(C)CC(OC(=O)CCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.Cc1ccc(N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C44H78N4O8.C42H64N2O4.C26H48N2O4.C23H39NO.C22H37NO2.C11H15NO2S/c1-37(2)19-27(20-38(3,4)45-37)53-33(49)17-31(35(51)55-29-23-41(9,10)47-42(11,12)24-29)32(36(52)56-30-25-43(13,14)48-44(15,16)26-30)18-34(50)54-28-21-39(5,6)46-40(7,8)22-28;1-39(2)27-35(28-40(3,4)43(39)31-33-21-15-13-16-22-33)47-37(45)25-19-11-9-10-12-20-26-38(46)48-36-29-41(5,6)44(42(7,8)30-36)32-34-23-17-14-18-24-34;1-23(2)15-19(16-24(3,4)27(23)9)31-21(29)13-11-12-14-22(30)32-20-17-25(5,6)28(10)26(7,8)18-20;1-2-3-4-5-6-7-8-9-10-16-21-25-23-18-13-12-17-22(23)24-19-14-11-15-20-24;1-2-3-4-5-6-7-8-9-10-11-18-25-22-14-12-21(13-15-22)23-16-19-24-20-17-23;1-10-2-4-11(5-3-10)12-6-8-15(13,14)9-7-12/h27-32,45-48H,17-26H2,1-16H3;13-18,21-24,35-36H,9-12,19-20,25-32H2,1-8H3;19-20H,11-18H2,1-10H3;12-13,17-18H,2-11,14-16,19-21H2,1H3;12-15H,2-11,16-20H2,1H3;2-5H,6-9H2,1H3
InChIKeyLWWWPVJKHHPANE-UHFFFAOYSA-N
XLogP35.01
TPSA343.03 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds60
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002823.22
LogP ≤ 535.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) hexanedioate;4-(4-dodecoxyphenyl)morpholine;1-(2-dodecoxyphenyl)piperidine;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) hexanedioate;4-(4-dodecoxyphenyl)morpholine;1-(2-dodecoxyphenyl)piperidine;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The IUPAC name of bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) hexanedioate;4-(4-dodecoxyphenyl)morpholine;1-(2-dodecoxyphenyl)piperidine;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate (CID 54056907) is bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) hexanedioate;4-(4-dodecoxyphenyl)morpholine;1-(2-dodecoxyphenyl)piperidine;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate.
What is the SMILES notation for bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) hexanedioate;4-(4-dodecoxyphenyl)morpholine;1-(2-dodecoxyphenyl)piperidine;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The canonical SMILES for bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) hexanedioate;4-(4-dodecoxyphenyl)morpholine;1-(2-dodecoxyphenyl)piperidine;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is CC1(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(Cc3ccccc3)C(C)(C)C2)CC(C)(C)N1Cc1ccccc1.CCCCCCCCCCCCOc1ccc(N2CCOCC2)cc1.CCCCCCCCCCCCOc1ccccc1N1CCCCC1.CN1C(C)(C)CC(OC(=O)CCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.Cc1ccc(N2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) hexanedioate;4-(4-dodecoxyphenyl)morpholine;1-(2-dodecoxyphenyl)piperidine;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
The InChIKey is LWWWPVJKHHPANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H78N4O8.C42H64N2O4.C26H48N2O4.C23H39NO.C22H37NO2.C11H15NO2S/c1-37(2)19-27(20-38(3,4)45-37)53-33(49)17-31(35(51)55-29-23-41(9,10)47-42(11,12)24-29)32(36(52)56-30-25-43(13,14)48-44(15,16)26-30)18-34(50)54-28-21-39(5,6)46-40(7,8)22-28;1-39(2)27-35(28-40(3,4)43(39)31-33-21-15-13-16-22-33)47-37(45)25-19-11-9-10-12-20-26-38(46)48-36-29-41(5,6)44(42(7,8)30-36)32-34-23-17-14-18-24-34;1-23(2)15-19(16-24(3,4)27(23)9)31-21(29)13-11-12-14-22(30)32-20-17-25(5,6)28(10)26(7,8)18-20;1-2-3-4-5-6-7-8-9-10-16-21-25-23-18-13-12-17-22(23)24-19-14-11-15-20-24;1-2-3-4-5-6-7-8-9-10-11-18-25-22-14-12-21(13-15-22)23-16-19-24-20-17-23;1-10-2-4-11(5-3-10)12-6-8-15(13,14)9-7-12/h27-32,45-48H,17-26H2,1-16H3;13-18,21-24,35-36H,9-12,19-20,25-32H2,1-8H3;19-20H,11-18H2,1-10H3;12-13,17-18H,2-11,14-16,19-21H2,1H3;12-15H,2-11,16-20H2,1H3;2-5H,6-9H2,1H3.
What are the key properties of bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) hexanedioate;4-(4-dodecoxyphenyl)morpholine;1-(2-dodecoxyphenyl)piperidine;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate?
bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) hexanedioate;4-(4-dodecoxyphenyl)morpholine;1-(2-dodecoxyphenyl)piperidine;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate has a molecular weight of 2823.22 g/mol, XLogP of 35.01, 60 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) hexanedioate;4-(4-dodecoxyphenyl)morpholine;1-(2-dodecoxyphenyl)piperidine;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 54056907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).