tert-Butyl 4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate

HCID 85437217

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Basic information

CAS: 57260-69-2
Standard SMILES: COc1ccc(C=CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIKey: OETCEQLRYHBQRH-UHFFFAOYSA-N
Molecular formula: C19H26N2O4
Average molar mass: 346.4 g/mol
Monoisotopic mass: 346.18925731

Names & identifiers

Preferred name: tert-Butyl 4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate
IUPAC: tert-butyl 4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate

Names & synonyms

DTXSID101127933tert-Butyl 4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate1,1-Dimethylethyl 4-[3-(4-methoxyphenyl)-1-oxo-2-propen-1-yl]-1-piperazinecarboxylate57260-69-2

Database identifiers

CAS: 57260-69-2
PubChem CID: 85437217
DTXSID: DTXSID101127933

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 59.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 482

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