2-(dimethylamino)ethyl 2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate

C17H32N2O2 — CID 57042240

IUPAC2-(dimethylamino)ethyl 2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate
SMILESCC(=CC1CC(C)(C)NC(C)(C)C1)C(=O)OCCN(C)C
InChIInChI=1S/C17H32N2O2/c1-13(15(20)21-9-8-19(6)7)10-14-11-16(2,3)18-17(4,5)12-14/h10,14,18H,8-9,11-12H2,1-7H3
InChIKeyZMCKUMQHJTYMDJ-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.59
Rot. Bonds5

About 2-(dimethylamino)ethyl 2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate

2-(dimethylamino)ethyl 2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate (PubChem CID 57042240) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate
PubChem CID57042240
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name2-(dimethylamino)ethyl 2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate
SMILESCC(=CC1CC(C)(C)NC(C)(C)C1)C(=O)OCCN(C)C
InChIInChI=1S/C17H32N2O2/c1-13(15(20)21-9-8-19(6)7)10-14-11-16(2,3)18-17(4,5)12-14/h10,14,18H,8-9,11-12H2,1-7H3
InChIKeyZMCKUMQHJTYMDJ-UHFFFAOYSA-N
XLogP2.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(dimethylamino)ethyl 2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate (CID 57042240) is 2-(dimethylamino)ethyl 2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate is CC(=CC1CC(C)(C)NC(C)(C)C1)C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate?
The InChIKey is ZMCKUMQHJTYMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13(15(20)21-9-8-19(6)7)10-14-11-16(2,3)18-17(4,5)12-14/h10,14,18H,8-9,11-12H2,1-7H3.
What are the key properties of 2-(dimethylamino)ethyl 2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate?
2-(dimethylamino)ethyl 2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate has a molecular weight of 296.46 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate is sourced from PubChem (CID 57042240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).