1-(2-benzhydryloxyethyl)-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine

C26H30N2OS — CID 10788184

IUPAC1-(2-benzhydryloxyethyl)-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine
SMILESC(=C/c1cccs1)\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H30N2OS/c1-3-9-23(10-4-1)26(24-11-5-2-6-12-24)29-21-20-28-18-16-27(17-19-28)15-7-13-25-14-8-22-30-25/h1-14,22,26H,15-21H2/b13-7+
InChIKeyVHARAMYFMYXHSB-NTUHNPAUSA-N
MW418.61 g/mol
LogP5.19
Rot. Bonds9

About 1-(2-benzhydryloxyethyl)-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine

1-(2-benzhydryloxyethyl)-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine (PubChem CID 10788184) has the molecular formula C26H30N2OS and a molecular weight of 418.61 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine
PubChem CID10788184
Molecular FormulaC26H30N2OS
Molecular Weight418.61 g/mol
Exact Mass418.21
IUPAC Name1-(2-benzhydryloxyethyl)-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine
SMILESC(=C/c1cccs1)\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H30N2OS/c1-3-9-23(10-4-1)26(24-11-5-2-6-12-24)29-21-20-28-18-16-27(17-19-28)15-7-13-25-14-8-22-30-25/h1-14,22,26H,15-21H2/b13-7+
InChIKeyVHARAMYFMYXHSB-NTUHNPAUSA-N
XLogP5.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.61
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine?
The IUPAC name of 1-(2-benzhydryloxyethyl)-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine (CID 10788184) is 1-(2-benzhydryloxyethyl)-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine is C(=C/c1cccs1)\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine?
The InChIKey is VHARAMYFMYXHSB-NTUHNPAUSA-N. The full InChI is InChI=1S/C26H30N2OS/c1-3-9-23(10-4-1)26(24-11-5-2-6-12-24)29-21-20-28-18-16-27(17-19-28)15-7-13-25-14-8-22-30-25/h1-14,22,26H,15-21H2/b13-7+.
What are the key properties of 1-(2-benzhydryloxyethyl)-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine?
1-(2-benzhydryloxyethyl)-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine has a molecular weight of 418.61 g/mol, XLogP of 5.19, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine is sourced from PubChem (CID 10788184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).