1-hydroxy-2,2,6,6-tetramethylpiperidine;2-methylprop-2-enoic acid

C13H25NO3 — CID 132889909

IUPAC1-hydroxy-2,2,6,6-tetramethylpiperidine;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC1(C)CCCC(C)(C)N1O
InChIInChI=1S/C9H19NO.C4H6O2/c1-8(2)6-5-7-9(3,4)10(8)11;1-3(2)4(5)6/h11H,5-7H2,1-4H3;1H2,2H3,(H,5,6)
InChIKeySCXWBFSTWJHYDA-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.07
Rot. Bonds1

About 1-hydroxy-2,2,6,6-tetramethylpiperidine;2-methylprop-2-enoic acid

1-hydroxy-2,2,6,6-tetramethylpiperidine;2-methylprop-2-enoic acid (PubChem CID 132889909) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-hydroxy-2,2,6,6-tetramethylpiperidine;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name1-hydroxy-2,2,6,6-tetramethylpiperidine;2-methylprop-2-enoic acid
PubChem CID132889909
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-hydroxy-2,2,6,6-tetramethylpiperidine;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC1(C)CCCC(C)(C)N1O
InChIInChI=1S/C9H19NO.C4H6O2/c1-8(2)6-5-7-9(3,4)10(8)11;1-3(2)4(5)6/h11H,5-7H2,1-4H3;1H2,2H3,(H,5,6)
InChIKeySCXWBFSTWJHYDA-UHFFFAOYSA-N
XLogP3.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 549976
[1-[1-(hydroxymethyl)cyclononyl]cyclononyl]methanol;bis(2-methylprop-2-enoic acid)
CID 158295547
cyclohexane;2-methylprop-2-enoic acid
CID 66795649
1-hydroxy-2,2,6,6-tetramethylpiperidine;methylimino(oxo)methane
CID 161040368
1-hydroxy-2,2,5,5-tetramethylpyrrolidine;methanol
CID 173152418
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,6,6-tetramethylpiperidine;2-methylprop-2-enoic acid?
The IUPAC name of 1-hydroxy-2,2,6,6-tetramethylpiperidine;2-methylprop-2-enoic acid (CID 132889909) is 1-hydroxy-2,2,6,6-tetramethylpiperidine;2-methylprop-2-enoic acid.
What is the SMILES notation for 1-hydroxy-2,2,6,6-tetramethylpiperidine;2-methylprop-2-enoic acid?
The canonical SMILES for 1-hydroxy-2,2,6,6-tetramethylpiperidine;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CC1(C)CCCC(C)(C)N1O.
What is the InChIKey of 1-hydroxy-2,2,6,6-tetramethylpiperidine;2-methylprop-2-enoic acid?
The InChIKey is SCXWBFSTWJHYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C4H6O2/c1-8(2)6-5-7-9(3,4)10(8)11;1-3(2)4(5)6/h11H,5-7H2,1-4H3;1H2,2H3,(H,5,6).
What are the key properties of 1-hydroxy-2,2,6,6-tetramethylpiperidine;2-methylprop-2-enoic acid?
1-hydroxy-2,2,6,6-tetramethylpiperidine;2-methylprop-2-enoic acid has a molecular weight of 243.35 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,6,6-tetramethylpiperidine;2-methylprop-2-enoic acid is sourced from PubChem (CID 132889909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).