1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid

C15H29NO2 — CID 175054219

IUPAC1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C11H23N.C4H6O2/c1-9-7-10(2,3)12(6)11(4,5)8-9;1-3(2)4(5)6/h9H,7-8H2,1-6H3;1H2,2H3,(H,5,6)
InChIKeySTZCBMJBMDCUBZ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.55
Rot. Bonds1

About 1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid

1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid (PubChem CID 175054219) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid
PubChem CID175054219
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C11H23N.C4H6O2/c1-9-7-10(2,3)12(6)11(4,5)8-9;1-3(2)4(5)6/h9H,7-8H2,1-6H3;1H2,2H3,(H,5,6)
InChIKeySTZCBMJBMDCUBZ-UHFFFAOYSA-N
XLogP3.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,2,4,6,6-hexamethylpiperidine;methane
CID 159576451
1,2,2,4,6,6-hexamethylpiperidine;vanadium
CID 159209902
benzene-1,2,4,5-tetracarboxylic acid;1,2,2,4,6,6-hexamethylpiperidine
CID 23161986
1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
CID 158360818
1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid
CID 21292200
butane;1,2,2,4,6,6-hexamethylpiperidine;methane
CID 158536756
1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane
CID 159311627
1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanone
CID 59745323
methylcyclobutane;2-methylprop-2-enoic acid
CID 68582164
adamantane;bis(2-methylprop-2-enoic acid)
CID 146540937
1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidine);2,2,4,6,6-pentamethylpiperidine
CID 158596903
1,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine
CID 142944905

Frequently Asked Questions

What is the IUPAC name of 1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid?
The IUPAC name of 1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid (CID 175054219) is 1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid.
What is the SMILES notation for 1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid?
The canonical SMILES for 1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid?
The InChIKey is STZCBMJBMDCUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C4H6O2/c1-9-7-10(2,3)12(6)11(4,5)8-9;1-3(2)4(5)6/h9H,7-8H2,1-6H3;1H2,2H3,(H,5,6).
What are the key properties of 1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid?
1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid is sourced from PubChem (CID 175054219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).