2-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid

C19H35NO4 — CID 19936177

IUPAC2-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid
SMILESCC1C(C(CCCCCCCC(=O)O)C(=O)O)CCN(C)C1(C)C
InChIInChI=1S/C19H35NO4/c1-14-15(12-13-20(4)19(14,2)3)16(18(23)24)10-8-6-5-7-9-11-17(21)22/h14-16H,5-13H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyQGFBLZNXEFEESN-UHFFFAOYSA-N
MW341.49 g/mol
LogP3.87
Rot. Bonds10

About 2-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid

2-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid (PubChem CID 19936177) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is 2-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid.

Molecular Properties

Compound Name2-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid
PubChem CID19936177
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name2-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid
SMILESCC1C(C(CCCCCCCC(=O)O)C(=O)O)CCN(C)C1(C)C
InChIInChI=1S/C19H35NO4/c1-14-15(12-13-20(4)19(14,2)3)16(18(23)24)10-8-6-5-7-9-11-17(21)22/h14-16H,5-13H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyQGFBLZNXEFEESN-UHFFFAOYSA-N
XLogP3.87
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid
CID 174622052
5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid
CID 126445732
6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
CID 174674444
2-methylhenicosanedioic acid
CID 21286141
7-(oxiran-2-yl)octanoic acid
CID 90805841
19-methylheptatriacontanedioic acid
CID 141009772
5-hydroxytridecanedioic acid
CID 139805426
hexadecane-1,6,7,16-tetracarboxylic acid
CID 90941074
henicosane-1,11,21-tricarboxylic acid
CID 12632759
6-(aziridin-1-yl)hexanoic acid
CID 141385441
16-methylheptadecanoic acid
CID 87200881
6-[(1-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 54938980

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid?
The IUPAC name of 2-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid (CID 19936177) is 2-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid.
What is the SMILES notation for 2-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid?
The canonical SMILES for 2-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid is CC1C(C(CCCCCCCC(=O)O)C(=O)O)CCN(C)C1(C)C.
What is the InChIKey of 2-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid?
The InChIKey is QGFBLZNXEFEESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c1-14-15(12-13-20(4)19(14,2)3)16(18(23)24)10-8-6-5-7-9-11-17(21)22/h14-16H,5-13H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 2-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid?
2-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid has a molecular weight of 341.49 g/mol, XLogP of 3.87, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid is sourced from PubChem (CID 19936177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).