ethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate

C17H24N2O2 — CID 782678

IUPACethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C/C(C)=C/c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-3-21-17(20)19-11-9-18(10-12-19)14-15(2)13-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3/b15-13+
InChIKeyVBKXUROPLKYGPJ-FYWRMAATSA-N
MW288.39 g/mol
LogP2.86
Rot. Bonds4

About ethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate

ethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate (PubChem CID 782678) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate
PubChem CID782678
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C/C(C)=C/c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-3-21-17(20)19-11-9-18(10-12-19)14-15(2)13-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3/b15-13+
InChIKeyVBKXUROPLKYGPJ-FYWRMAATSA-N
XLogP2.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate (CID 782678) is ethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C/C(C)=C/c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate?
The InChIKey is VBKXUROPLKYGPJ-FYWRMAATSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-21-17(20)19-11-9-18(10-12-19)14-15(2)13-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3/b15-13+.
What are the key properties of ethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate?
ethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate is sourced from PubChem (CID 782678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).