[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate

C21H41NO4 — CID 67968303

IUPAC[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate
SMILESCCCCCCCC(=O)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1
InChIInChI=1S/C21H41NO4/c1-8-9-10-11-12-13-18(23)26-17-14-19(2,3)22(20(4,5)15-17)25-16-21(6,7)24/h17,24H,8-16H2,1-7H3
InChIKeyHHGZPLFTPFKLKM-UHFFFAOYSA-N
MW371.56 g/mol
LogP4.61
Rot. Bonds10

About [1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate

[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate (PubChem CID 67968303) has the molecular formula C21H41NO4 and a molecular weight of 371.56 g/mol. Its IUPAC name is [1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate.

Molecular Properties

Compound Name[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate
PubChem CID67968303
Molecular FormulaC21H41NO4
Molecular Weight371.56 g/mol
Exact Mass371.30
IUPAC Name[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate
SMILESCCCCCCCC(=O)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1
InChIInChI=1S/C21H41NO4/c1-8-9-10-11-12-13-18(23)26-17-14-19(2,3)22(20(4,5)15-17)25-16-21(6,7)24/h17,24H,8-16H2,1-7H3
InChIKeyHHGZPLFTPFKLKM-UHFFFAOYSA-N
XLogP4.61
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.56
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate
CID 22255858
4-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl butanedioate;6-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl hexanedioate
CID 22743585
1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate
CID 18728785
4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 156550746
4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
CID 155213134
bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 141285453
bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 172808816
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
(4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate
CID 20792531
1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-non-1-en-2-yloxypiperidin-4-yl) decanedioate
CID 153219255
bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane
CID 159751289
10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
CID 150087158

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate?
The IUPAC name of [1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate (CID 67968303) is [1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate.
What is the SMILES notation for [1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate?
The canonical SMILES for [1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate is CCCCCCCC(=O)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1.
What is the InChIKey of [1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate?
The InChIKey is HHGZPLFTPFKLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO4/c1-8-9-10-11-12-13-18(23)26-17-14-19(2,3)22(20(4,5)15-17)25-16-21(6,7)24/h17,24H,8-16H2,1-7H3.
What are the key properties of [1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate?
[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate has a molecular weight of 371.56 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate is sourced from PubChem (CID 67968303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).