bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate

C32H60N2O4 — CID 141285450

IUPACbis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
SMILESCCN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(CC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C32H60N2O4/c1-11-33-29(3,4)21-25(22-30(33,5)6)37-27(35)19-17-15-13-14-16-18-20-28(36)38-26-23-31(7,8)34(12-2)32(9,10)24-26/h25-26H,11-24H2,1-10H3
InChIKeyICRMDVIZMNTZLN-UHFFFAOYSA-N
MW536.84 g/mol
LogP7.28
Rot. Bonds13

About bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate

bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate (PubChem CID 141285450) has the molecular formula C32H60N2O4 and a molecular weight of 536.84 g/mol. Its IUPAC name is bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate.

Molecular Properties

Compound Namebis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
PubChem CID141285450
Molecular FormulaC32H60N2O4
Molecular Weight536.84 g/mol
Exact Mass536.46
IUPAC Namebis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
SMILESCCN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(CC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C32H60N2O4/c1-11-33-29(3,4)21-25(22-30(33,5)6)37-27(35)19-17-15-13-14-16-18-20-28(36)38-26-23-31(7,8)34(12-2)32(9,10)24-26/h25-26H,11-24H2,1-10H3
InChIKeyICRMDVIZMNTZLN-UHFFFAOYSA-N
XLogP7.28
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.84
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate
CID 163756463
4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid
CID 67533775
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
CID 150087158
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922
bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 172808816
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
CID 59915332
10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
CID 101128218
CID 101128218
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate
CID 126595053

Frequently Asked Questions

What is the IUPAC name of bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
The IUPAC name of bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate (CID 141285450) is bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate.
What is the SMILES notation for bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
The canonical SMILES for bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate is CCN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(CC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
The InChIKey is ICRMDVIZMNTZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N2O4/c1-11-33-29(3,4)21-25(22-30(33,5)6)37-27(35)19-17-15-13-14-16-18-20-28(36)38-26-23-31(7,8)34(12-2)32(9,10)24-26/h25-26H,11-24H2,1-10H3.
What are the key properties of bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate has a molecular weight of 536.84 g/mol, XLogP of 7.28, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate is sourced from PubChem (CID 141285450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).