(4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate

C29H55NO4 — CID 20792531

IUPAC(4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)ON1C(C)(C)CC(OC(C)=O)CC1(C)C
InChIInChI=1S/C29H55NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(32)34-30-28(3,4)23-26(33-25(2)31)24-29(30,5)6/h26H,7-24H2,1-6H3
InChIKeyQBWSSOSRSBGJBK-UHFFFAOYSA-N
MW481.76 g/mol
LogP8.29
Rot. Bonds18

About (4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate

(4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate (PubChem CID 20792531) has the molecular formula C29H55NO4 and a molecular weight of 481.76 g/mol. Its IUPAC name is (4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate.

Molecular Properties

Compound Name(4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate
PubChem CID20792531
Molecular FormulaC29H55NO4
Molecular Weight481.76 g/mol
Exact Mass481.41
IUPAC Name(4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)ON1C(C)(C)CC(OC(C)=O)CC1(C)C
InChIInChI=1S/C29H55NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(32)34-30-28(3,4)23-26(33-25(2)31)24-29(30,5)6/h26H,7-24H2,1-6H3
InChIKeyQBWSSOSRSBGJBK-UHFFFAOYSA-N
XLogP8.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.76
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
CID 708860
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
[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate
CID 67968303
10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid
CID 70489036
10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
CID 150087158
(2,2,5,5-tetramethyl-1-propoxypyrrolidin-3-yl) hexanoate
CID 122414780
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
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
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
CID 155213134
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate?
The IUPAC name of (4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate (CID 20792531) is (4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate.
What is the SMILES notation for (4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate?
The canonical SMILES for (4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate is CCCCCCCCCCCCCCCCCC(=O)ON1C(C)(C)CC(OC(C)=O)CC1(C)C.
What is the InChIKey of (4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate?
The InChIKey is QBWSSOSRSBGJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H55NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(32)34-30-28(3,4)23-26(33-25(2)31)24-29(30,5)6/h26H,7-24H2,1-6H3.
What are the key properties of (4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate?
(4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate has a molecular weight of 481.76 g/mol, XLogP of 8.29, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate is sourced from PubChem (CID 20792531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).