(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate

C19H35NO3 — CID 122576180

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate
SMILESCCCCCCCC(=O)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C19H35NO3/c1-7-8-9-10-11-12-16(21)17(22)23-15-13-18(2,3)20(6)19(4,5)14-15/h15H,7-14H2,1-6H3
InChIKeyDCIMCDIGOAUEKH-UHFFFAOYSA-N
MW325.49 g/mol
LogP4.11
Rot. Bonds8

About (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate

(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate (PubChem CID 122576180) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate
PubChem CID122576180
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate
SMILESCCCCCCCC(=O)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C19H35NO3/c1-7-8-9-10-11-12-16(21)17(22)23-15-13-18(2,3)20(6)19(4,5)14-15/h15H,7-14H2,1-6H3
InChIKeyDCIMCDIGOAUEKH-UHFFFAOYSA-N
XLogP4.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
(1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate
CID 54571044
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264
1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid
CID 21292200
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-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
CID 150087158
1,2,2,6,6-pentamethyl-4-octoxypiperidine
CID 155074808
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate
CID 54002279
10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate
CID 90713929
(4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate
CID 20792531
1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine
CID 134316434

Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate (CID 122576180) is (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate is CCCCCCCC(=O)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate?
The InChIKey is DCIMCDIGOAUEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO3/c1-7-8-9-10-11-12-16(21)17(22)23-15-13-18(2,3)20(6)19(4,5)14-15/h15H,7-14H2,1-6H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate has a molecular weight of 325.49 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate is sourced from PubChem (CID 122576180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).