2-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)ethyl prop-2-enoate

C17H27NO4 — CID 19098667

IUPAC2-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1C(C)(C)CC(OC(=O)C=C)CC1(C)C
InChIInChI=1S/C17H27NO4/c1-7-14(19)21-10-9-18-16(3,4)11-13(12-17(18,5)6)22-15(20)8-2/h7-8,13H,1-2,9-12H2,3-6H3
InChIKeyZDWDGCGWGLNSRN-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.47
Rot. Bonds6

About 2-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)ethyl prop-2-enoate

2-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)ethyl prop-2-enoate (PubChem CID 19098667) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)ethyl prop-2-enoate
PubChem CID19098667
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name2-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1C(C)(C)CC(OC(=O)C=C)CC1(C)C
InChIInChI=1S/C17H27NO4/c1-7-14(19)21-10-9-18-16(3,4)11-13(12-17(18,5)6)22-15(20)8-2/h7-8,13H,1-2,9-12H2,3-6H3
InChIKeyZDWDGCGWGLNSRN-UHFFFAOYSA-N
XLogP2.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)ethyl prop-2-enoate (CID 19098667) is 2-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)ethyl prop-2-enoate is C=CC(=O)OCCN1C(C)(C)CC(OC(=O)C=C)CC1(C)C.
What is the InChIKey of 2-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)ethyl prop-2-enoate?
The InChIKey is ZDWDGCGWGLNSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-7-14(19)21-10-9-18-16(3,4)11-13(12-17(18,5)6)22-15(20)8-2/h7-8,13H,1-2,9-12H2,3-6H3.
What are the key properties of 2-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)ethyl prop-2-enoate?
2-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)ethyl prop-2-enoate has a molecular weight of 309.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)ethyl prop-2-enoate is sourced from PubChem (CID 19098667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).