bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate

C33H62N2O4 — CID 162454117

IUPACbis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
SMILESCN1C(C)(C)CC(OC(=O)CCCCCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C33H62N2O4/c1-30(2)22-26(23-31(3,4)34(30)9)38-28(36)20-18-16-14-12-11-13-15-17-19-21-29(37)39-27-24-32(5,6)35(10)33(7,8)25-27/h26-27H,11-25H2,1-10H3
InChIKeyCDFSUZYMGVKCOW-UHFFFAOYSA-N
MW550.87 g/mol
LogP7.67
Rot. Bonds14

About bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate (PubChem CID 162454117) has the molecular formula C33H62N2O4 and a molecular weight of 550.87 g/mol. Its IUPAC name is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate.

Molecular Properties

Compound Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
PubChem CID162454117
Molecular FormulaC33H62N2O4
Molecular Weight550.87 g/mol
Exact Mass550.47
IUPAC Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
SMILESCN1C(C)(C)CC(OC(=O)CCCCCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C33H62N2O4/c1-30(2)22-26(23-31(3,4)34(30)9)38-28(36)20-18-16-14-12-11-13-15-17-19-21-29(37)39-27-24-32(5,6)35(10)33(7,8)25-27/h26-27H,11-25H2,1-10H3
InChIKeyCDFSUZYMGVKCOW-UHFFFAOYSA-N
XLogP7.67
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.87
LogP ≤ 57.67
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

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
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-10-oxodecanoate;(2,2,6,6-tetramethylpiperidin-4-yl) 10-oxo-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoate
CID 160634307
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methyldecanedioate
CID 118137040
bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 172808816
bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate
CID 54027959
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate
CID 163506972
10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate
CID 163756463

Frequently Asked Questions

What is the IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate?
The IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate (CID 162454117) is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate.
What is the SMILES notation for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate?
The canonical SMILES for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate is CN1C(C)(C)CC(OC(=O)CCCCCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate?
The InChIKey is CDFSUZYMGVKCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H62N2O4/c1-30(2)22-26(23-31(3,4)34(30)9)38-28(36)20-18-16-14-12-11-13-15-17-19-21-29(37)39-27-24-32(5,6)35(10)33(7,8)25-27/h26-27H,11-25H2,1-10H3.
What are the key properties of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate?
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate has a molecular weight of 550.87 g/mol, XLogP of 7.67, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate is sourced from PubChem (CID 162454117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).