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

C16H24N2 — CID 783155

IUPAC1-ethyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
SMILESCCN1CCN(C/C(C)=C/c2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-3-17-9-11-18(12-10-17)14-15(2)13-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3/b15-13+
InChIKeyQCCYQSLOIUJWES-FYWRMAATSA-N
MW244.38 g/mol
LogP2.73
Rot. Bonds4

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

1-ethyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine (PubChem CID 783155) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
PubChem CID783155
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-ethyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
SMILESCCN1CCN(C/C(C)=C/c2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-3-17-9-11-18(12-10-17)14-15(2)13-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3/b15-13+
InChIKeyQCCYQSLOIUJWES-FYWRMAATSA-N
XLogP2.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-ethyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine (CID 783155) is 1-ethyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine is CCN1CCN(C/C(C)=C/c2ccccc2)CC1.
What is the InChIKey of 1-ethyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
The InChIKey is QCCYQSLOIUJWES-FYWRMAATSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-17-9-11-18(12-10-17)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 1-ethyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
1-ethyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine has a molecular weight of 244.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 783155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).