10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate

C28H51N3O6 — CID 126595053

IUPAC10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(N=O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C28H51N3O6/c1-25(2)17-21(18-26(3,4)30(25)29-34)36-23(32)15-13-11-9-10-12-14-16-24(33)37-22-19-27(5,6)31(35)28(7,8)20-22/h21-22,35H,9-20H2,1-8H3
InChIKeyVXAIHTQMCGNWAP-UHFFFAOYSA-N
MW525.73 g/mol
LogP6.31
Rot. Bonds12

About 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate

10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate (PubChem CID 126595053) has the molecular formula C28H51N3O6 and a molecular weight of 525.73 g/mol. Its IUPAC name is 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate.

Molecular Properties

Compound Name10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate
PubChem CID126595053
Molecular FormulaC28H51N3O6
Molecular Weight525.73 g/mol
Exact Mass525.38
IUPAC Name10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(N=O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C28H51N3O6/c1-25(2)17-21(18-26(3,4)30(25)29-34)36-23(32)15-13-11-9-10-12-14-16-24(33)37-22-19-27(5,6)31(35)28(7,8)20-22/h21-22,35H,9-20H2,1-8H3
InChIKeyVXAIHTQMCGNWAP-UHFFFAOYSA-N
XLogP6.31
TPSA108.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.73
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
CID 59915332
1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate
CID 158347381
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
(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
CID 163897678
CID 163897678
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
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
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961

Frequently Asked Questions

What is the IUPAC name of 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate?
The IUPAC name of 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) is 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate.
What is the SMILES notation for 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate?
The canonical SMILES for 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate is CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(N=O)C(C)(C)C2)CC(C)(C)N1O.
What is the InChIKey of 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate?
The InChIKey is VXAIHTQMCGNWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51N3O6/c1-25(2)17-21(18-26(3,4)30(25)29-34)36-23(32)15-13-11-9-10-12-14-16-24(33)37-22-19-27(5,6)31(35)28(7,8)20-22/h21-22,35H,9-20H2,1-8H3.
What are the key properties of 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate?
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate has a molecular weight of 525.73 g/mol, XLogP of 6.31, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate is sourced from PubChem (CID 126595053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).