2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl prop-2-enoate

C17H31NO2 — CID 22754563

IUPAC2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1C(C)(CC)CCC(C)C1(C)CC
InChIInChI=1S/C17H31NO2/c1-7-15(19)20-13-12-18-16(5,8-2)11-10-14(4)17(18,6)9-3/h7,14H,1,8-13H2,2-6H3
InChIKeyVRWMKIZVAHLWCZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.78
Rot. Bonds6

About 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl prop-2-enoate

2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl prop-2-enoate (PubChem CID 22754563) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl prop-2-enoate
PubChem CID22754563
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1C(C)(CC)CCC(C)C1(C)CC
InChIInChI=1S/C17H31NO2/c1-7-15(19)20-13-12-18-16(5,8-2)11-10-14(4)17(18,6)9-3/h7,14H,1,8-13H2,2-6H3
InChIKeyVRWMKIZVAHLWCZ-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
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-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl prop-2-enoate (CID 22754563) is 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl prop-2-enoate is C=CC(=O)OCCN1C(C)(CC)CCC(C)C1(C)CC.
What is the InChIKey of 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl prop-2-enoate?
The InChIKey is VRWMKIZVAHLWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-7-15(19)20-13-12-18-16(5,8-2)11-10-14(4)17(18,6)9-3/h7,14H,1,8-13H2,2-6H3.
What are the key properties of 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl prop-2-enoate?
2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl prop-2-enoate has a molecular weight of 281.44 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)ethyl prop-2-enoate is sourced from PubChem (CID 22754563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).