(2,2,6-trimethylpiperidin-4-yl) prop-2-enoate

C11H19NO2 — CID 144639404

IUPAC(2,2,6-trimethylpiperidin-4-yl) prop-2-enoate
SMILESC=CC(=O)OC1CC(C)NC(C)(C)C1
InChIInChI=1S/C11H19NO2/c1-5-10(13)14-9-6-8(2)12-11(3,4)7-9/h5,8-9,12H,1,6-7H2,2-4H3
InChIKeyRIGYLTRLCNVBNI-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.63
Rot. Bonds2

About (2,2,6-trimethylpiperidin-4-yl) prop-2-enoate

(2,2,6-trimethylpiperidin-4-yl) prop-2-enoate (PubChem CID 144639404) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2,2,6-trimethylpiperidin-4-yl) prop-2-enoate.

Molecular Properties

Compound Name(2,2,6-trimethylpiperidin-4-yl) prop-2-enoate
PubChem CID144639404
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2,2,6-trimethylpiperidin-4-yl) prop-2-enoate
SMILESC=CC(=O)OC1CC(C)NC(C)(C)C1
InChIInChI=1S/C11H19NO2/c1-5-10(13)14-9-6-8(2)12-11(3,4)7-9/h5,8-9,12H,1,6-7H2,2-4H3
InChIKeyRIGYLTRLCNVBNI-UHFFFAOYSA-N
XLogP1.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2,2,6-trimethylpiperidin-4-yl) prop-2-enoate?
The IUPAC name of (2,2,6-trimethylpiperidin-4-yl) prop-2-enoate (CID 144639404) is (2,2,6-trimethylpiperidin-4-yl) prop-2-enoate.
What is the SMILES notation for (2,2,6-trimethylpiperidin-4-yl) prop-2-enoate?
The canonical SMILES for (2,2,6-trimethylpiperidin-4-yl) prop-2-enoate is C=CC(=O)OC1CC(C)NC(C)(C)C1.
What is the InChIKey of (2,2,6-trimethylpiperidin-4-yl) prop-2-enoate?
The InChIKey is RIGYLTRLCNVBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-10(13)14-9-6-8(2)12-11(3,4)7-9/h5,8-9,12H,1,6-7H2,2-4H3.
What are the key properties of (2,2,6-trimethylpiperidin-4-yl) prop-2-enoate?
(2,2,6-trimethylpiperidin-4-yl) prop-2-enoate has a molecular weight of 197.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6-trimethylpiperidin-4-yl) prop-2-enoate is sourced from PubChem (CID 144639404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).