3-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-enoic acid

C19H33NO2 — CID 154500723

IUPAC3-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-enoic acid
SMILESCC(=CC1CC(C)(C)N(C2CCCCC2)C(C)(C)C1)C(=O)O
InChIInChI=1S/C19H33NO2/c1-14(17(21)22)11-15-12-18(2,3)20(19(4,5)13-15)16-9-7-6-8-10-16/h11,15-16H,6-10,12-13H2,1-5H3,(H,21,22)
InChIKeyWAJVYTMQUGWBGJ-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.62
Rot. Bonds3

About 3-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-enoic acid

3-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-enoic acid (PubChem CID 154500723) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 3-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-enoic acid
PubChem CID154500723
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name3-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-enoic acid
SMILESCC(=CC1CC(C)(C)N(C2CCCCC2)C(C)(C)C1)C(=O)O
InChIInChI=1S/C19H33NO2/c1-14(17(21)22)11-15-12-18(2,3)20(19(4,5)13-15)16-9-7-6-8-10-16/h11,15-16H,6-10,12-13H2,1-5H3,(H,21,22)
InChIKeyWAJVYTMQUGWBGJ-UHFFFAOYSA-N
XLogP4.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.62
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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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-enoic acid?
The IUPAC name of 3-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-enoic acid (CID 154500723) is 3-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-enoic acid?
The canonical SMILES for 3-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-enoic acid is CC(=CC1CC(C)(C)N(C2CCCCC2)C(C)(C)C1)C(=O)O.
What is the InChIKey of 3-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-enoic acid?
The InChIKey is WAJVYTMQUGWBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-14(17(21)22)11-15-12-18(2,3)20(19(4,5)13-15)16-9-7-6-8-10-16/h11,15-16H,6-10,12-13H2,1-5H3,(H,21,22).
What are the key properties of 3-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-enoic acid?
3-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-enoic acid has a molecular weight of 307.48 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 154500723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).