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

C13H18N2 — CID 726896

IUPAC1-[(E)-3-phenylprop-2-enyl]piperazine
SMILESC(=C/c1ccccc1)\CN1CCNCC1
InChIInChI=1S/C13H18N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-7,14H,8-12H2/b7-4+
InChIKeyWGEIOMTZIIOUMA-QPJJXVBHSA-N
MW202.30 g/mol
LogP1.61
Rot. Bonds3

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

1-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 726896) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID726896
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-[(E)-3-phenylprop-2-enyl]piperazine
SMILESC(=C/c1ccccc1)\CN1CCNCC1
InChIInChI=1S/C13H18N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-7,14H,8-12H2/b7-4+
InChIKeyWGEIOMTZIIOUMA-QPJJXVBHSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]piperazine (CID 726896) is 1-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]piperazine is C(=C/c1ccccc1)\CN1CCNCC1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is WGEIOMTZIIOUMA-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-7,14H,8-12H2/b7-4+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]piperazine?
1-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 202.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 726896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).