ethenyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate

C16H27NO2 — CID 139927023

IUPACethenyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate
SMILESC=COC(=O)/C(C)=C/C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C16H27NO2/c1-8-19-14(18)12(2)9-13-10-15(3,4)17(7)16(5,6)11-13/h8-9,13H,1,10-11H2,2-7H3/b12-9+
InChIKeyVPAWDZIKYYDACB-FMIVXFBMSA-N
MW265.40 g/mol
LogP3.52
Rot. Bonds3

About ethenyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate

ethenyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate (PubChem CID 139927023) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is ethenyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate.

Molecular Properties

Compound Nameethenyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate
PubChem CID139927023
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Nameethenyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate
SMILESC=COC(=O)/C(C)=C/C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C16H27NO2/c1-8-19-14(18)12(2)9-13-10-15(3,4)17(7)16(5,6)11-13/h8-9,13H,1,10-11H2,2-7H3/b12-9+
InChIKeyVPAWDZIKYYDACB-FMIVXFBMSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-3,7-dimethyl-6-piperidin-1-yloct-2-enyl] acetate
CID 134956061
2-(4-Ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate
CID 22964441
Methyl 2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate
CID 67543665
Methyl 2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate
CID 67543951
(1,2,2,6,6-Pentamethylpiperidin-4-yl) 2-ethylbut-2-enoate
CID 71123112
methyl (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate
CID 87439347
methyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate
CID 87439421
ethyl (E)-3-(1-tert-butylpiperidin-4-yl)prop-2-enoate
CID 141280258
ethenyl (3S,5S)-4-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]-3,5-dimethyl-3-propylpiperidine-1-carboxylate
CID 163927081
ethyl (Z)-3-(1-tert-butylpiperidin-4-yl)-2-methylprop-2-enoate
CID 175905218
(E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate
CID 19598977
(E)-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate
CID 21693804

Frequently Asked Questions

What is the IUPAC name of ethenyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate?
The IUPAC name of ethenyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate (CID 139927023) is ethenyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate.
What is the SMILES notation for ethenyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate?
The canonical SMILES for ethenyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate is C=COC(=O)/C(C)=C/C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of ethenyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate?
The InChIKey is VPAWDZIKYYDACB-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H27NO2/c1-8-19-14(18)12(2)9-13-10-15(3,4)17(7)16(5,6)11-13/h8-9,13H,1,10-11H2,2-7H3/b12-9+.
What are the key properties of ethenyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate?
ethenyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate has a molecular weight of 265.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate is sourced from PubChem (CID 139927023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).