2,4-dimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylhexanoic acid

C18H33NO4 — CID 153297334

IUPAC2,4-dimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylhexanoic acid
SMILESCCC(C)(CC(C)C(=O)O)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H33NO4/c1-8-18(7,9-12(2)14(20)21)15(22)23-13-10-16(3,4)19-17(5,6)11-13/h12-13,19H,8-11H2,1-7H3,(H,20,21)
InChIKeyVRORQIHVBSXAPP-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.37
Rot. Bonds6

About 2,4-dimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylhexanoic acid

2,4-dimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylhexanoic acid (PubChem CID 153297334) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2,4-dimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylhexanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylhexanoic acid
PubChem CID153297334
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Name2,4-dimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylhexanoic acid
SMILESCCC(C)(CC(C)C(=O)O)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H33NO4/c1-8-18(7,9-12(2)14(20)21)15(22)23-13-10-16(3,4)19-17(5,6)11-13/h12-13,19H,8-11H2,1-7H3,(H,20,21)
InChIKeyVRORQIHVBSXAPP-UHFFFAOYSA-N
XLogP3.37
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,4-diethyl-2,4-dimethylpentanedioate
CID 145333560
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate
CID 139985901
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate
CID 54136975
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate
CID 20512140
tetrakis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) ethane-1,1,1,2-tetracarboxylate
CID 121247846
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate
CID 22761497
1-O-(1-adamantyl) 5-O-tert-butyl 2-ethyl-2,4-dimethylpentanedioate;methane
CID 159547180
(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate
CID 162509434
2-O-[2-(ethylamino)-2-methylheptan-4-yl] 1-O,4-O,5-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate
CID 142417601
2,4,6-trimethyl-6-[(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)oxycarbonyl]-4-(2-oxooxolan-3-yl)oxycarbonyloctanoic acid
CID 59049048
3-oxo-2,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid
CID 70591012
3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanoic acid
CID 82323209

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylhexanoic acid?
The IUPAC name of 2,4-dimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylhexanoic acid (CID 153297334) is 2,4-dimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylhexanoic acid.
What is the SMILES notation for 2,4-dimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylhexanoic acid?
The canonical SMILES for 2,4-dimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylhexanoic acid is CCC(C)(CC(C)C(=O)O)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2,4-dimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylhexanoic acid?
The InChIKey is VRORQIHVBSXAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO4/c1-8-18(7,9-12(2)14(20)21)15(22)23-13-10-16(3,4)19-17(5,6)11-13/h12-13,19H,8-11H2,1-7H3,(H,20,21).
What are the key properties of 2,4-dimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylhexanoic acid?
2,4-dimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylhexanoic acid has a molecular weight of 327.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylhexanoic acid is sourced from PubChem (CID 153297334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).