2-piperidin-2-ylethyl 2-methylprop-2-enoate

C11H19NO2 — CID 29583

IUPAC2-piperidin-2-ylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1CCCCN1
InChIInChI=1S/C11H19NO2/c1-9(2)11(13)14-8-6-10-5-3-4-7-12-10/h10,12H,1,3-8H2,2H3
InChIKeyOJBREBNDWBLYNI-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.64
Rot. Bonds4

About 2-piperidin-2-ylethyl 2-methylprop-2-enoate

2-piperidin-2-ylethyl 2-methylprop-2-enoate (PubChem CID 29583) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-piperidin-2-ylethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-piperidin-2-ylethyl 2-methylprop-2-enoate
PubChem CID29583
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-piperidin-2-ylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1CCCCN1
InChIInChI=1S/C11H19NO2/c1-9(2)11(13)14-8-6-10-5-3-4-7-12-10/h10,12H,1,3-8H2,2H3
InChIKeyOJBREBNDWBLYNI-UHFFFAOYSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.64
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-piperidin-2-ylethyl 2-methylprop-2-enoate?
The IUPAC name of 2-piperidin-2-ylethyl 2-methylprop-2-enoate (CID 29583) is 2-piperidin-2-ylethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-piperidin-2-ylethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-piperidin-2-ylethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC1CCCCN1.
What is the InChIKey of 2-piperidin-2-ylethyl 2-methylprop-2-enoate?
The InChIKey is OJBREBNDWBLYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)11(13)14-8-6-10-5-3-4-7-12-10/h10,12H,1,3-8H2,2H3.
What are the key properties of 2-piperidin-2-ylethyl 2-methylprop-2-enoate?
2-piperidin-2-ylethyl 2-methylprop-2-enoate has a molecular weight of 197.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-ylethyl 2-methylprop-2-enoate is sourced from PubChem (CID 29583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).