bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate

C30H54N2O4 — CID 54182156

IUPACbis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate
SMILESCC1(C)CCCC(C)(C)N1CCOC(=O)C1CCC(C(=O)OCCN2C(C)(C)CCCC2(C)C)CC1
InChIInChI=1S/C30H54N2O4/c1-27(2)15-9-16-28(3,4)31(27)19-21-35-25(33)23-11-13-24(14-12-23)26(34)36-22-20-32-29(5,6)17-10-18-30(32,7)8/h23-24H,9-22H2,1-8H3
InChIKeyPCOBTZSESBDCHI-UHFFFAOYSA-N
MW506.77 g/mol
LogP5.97
Rot. Bonds8

About bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate

bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate (PubChem CID 54182156) has the molecular formula C30H54N2O4 and a molecular weight of 506.77 g/mol. Its IUPAC name is bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate.

Molecular Properties

Compound Namebis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate
PubChem CID54182156
Molecular FormulaC30H54N2O4
Molecular Weight506.77 g/mol
Exact Mass506.41
IUPAC Namebis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate
SMILESCC1(C)CCCC(C)(C)N1CCOC(=O)C1CCC(C(=O)OCCN2C(C)(C)CCCC2(C)C)CC1
InChIInChI=1S/C30H54N2O4/c1-27(2)15-9-16-28(3,4)31(27)19-21-35-25(33)23-11-13-24(14-12-23)26(34)36-22-20-32-29(5,6)17-10-18-30(32,7)8/h23-24H,9-22H2,1-8H3
InChIKeyPCOBTZSESBDCHI-UHFFFAOYSA-N
XLogP5.97
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.77
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Bis-(1,2,2,6,6-pentamethyl-piperidyl) sebacate
CID 14454716
Methyl 2-[4-(2-methoxy-2-oxoethyl)-1,4-dimorpholin-4-ylcyclohexyl]acetate
CID 50905633
[4-[(1,2,2,6,6-Pentamethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,6,6-pentamethylpiperidine-4-carboxylate
CID 20566790
Bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] hexanedioate
CID 20574175
Bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] decanedioate
CID 21245383
2-(2,2,4,6,6-Pentamethylpiperidin-1-yl)ethyl octadecanoate
CID 21292162
2-[4-[6-[2,6-Diethyl-2,3,6-trimethyl-1-(2-octadecanoyloxyethyl)piperidin-4-yl]oxyhexoxy]-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl]ethyl octadecanoate
CID 21330434
6-O-[2,2,6,6-tetramethyl-1-[2-(6-oxoheptanoyloxy)ethyl]piperidin-4-yl] 1-O-(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) hexanedioate
CID 21348313
1-(2,2,6,6-Tetramethylpiperidin-1-yl)propan-2-yl cyclohexanecarboxylate
CID 21517304
[2,2,6,6-Tetramethyl-1-[2-[2-(2,2,6,6-tetramethyl-4-octadecanoyloxypiperidin-1-yl)ethoxy]ethyl]piperidin-4-yl] octadecanoate
CID 21557123
Bis[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl] hexanedioate
CID 22754566
2-(2,6-Diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl dodecanoate
CID 22754609

Frequently Asked Questions

What is the IUPAC name of bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate?
The IUPAC name of bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate (CID 54182156) is bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate.
What is the SMILES notation for bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate?
The canonical SMILES for bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate is CC1(C)CCCC(C)(C)N1CCOC(=O)C1CCC(C(=O)OCCN2C(C)(C)CCCC2(C)C)CC1.
What is the InChIKey of bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate?
The InChIKey is PCOBTZSESBDCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N2O4/c1-27(2)15-9-16-28(3,4)31(27)19-21-35-25(33)23-11-13-24(14-12-23)26(34)36-22-20-32-29(5,6)17-10-18-30(32,7)8/h23-24H,9-22H2,1-8H3.
What are the key properties of bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate?
bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate has a molecular weight of 506.77 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] cyclohexane-1,4-dicarboxylate is sourced from PubChem (CID 54182156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).