1-(2-benzhydryloxyethyl)-4-(3-thiophen-2-ylpropyl)piperazine

C26H32N2OS — CID 10717041

IUPAC1-(2-benzhydryloxyethyl)-4-(3-thiophen-2-ylpropyl)piperazine
SMILESc1ccc(C(OCCN2CCN(CCCc3cccs3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H32N2OS/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/h1-6,8-12,14,22,26H,7,13,15-21H2
InChIKeyLZIOWZFBJQHWNY-UHFFFAOYSA-N
MW420.62 g/mol
LogP5.10
Rot. Bonds10

About 1-(2-benzhydryloxyethyl)-4-(3-thiophen-2-ylpropyl)piperazine

1-(2-benzhydryloxyethyl)-4-(3-thiophen-2-ylpropyl)piperazine (PubChem CID 10717041) has the molecular formula C26H32N2OS and a molecular weight of 420.62 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-4-(3-thiophen-2-ylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-4-(3-thiophen-2-ylpropyl)piperazine
PubChem CID10717041
Molecular FormulaC26H32N2OS
Molecular Weight420.62 g/mol
Exact Mass420.22
IUPAC Name1-(2-benzhydryloxyethyl)-4-(3-thiophen-2-ylpropyl)piperazine
SMILESc1ccc(C(OCCN2CCN(CCCc3cccs3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H32N2OS/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/h1-6,8-12,14,22,26H,7,13,15-21H2
InChIKeyLZIOWZFBJQHWNY-UHFFFAOYSA-N
XLogP5.10
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.62
LogP ≤ 55.10
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-(3-thiophen-2-ylpropyl)piperazine?
The IUPAC name of 1-(2-benzhydryloxyethyl)-4-(3-thiophen-2-ylpropyl)piperazine (CID 10717041) is 1-(2-benzhydryloxyethyl)-4-(3-thiophen-2-ylpropyl)piperazine.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-4-(3-thiophen-2-ylpropyl)piperazine?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-4-(3-thiophen-2-ylpropyl)piperazine is c1ccc(C(OCCN2CCN(CCCc3cccs3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-4-(3-thiophen-2-ylpropyl)piperazine?
The InChIKey is LZIOWZFBJQHWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2OS/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/h1-6,8-12,14,22,26H,7,13,15-21H2.
What are the key properties of 1-(2-benzhydryloxyethyl)-4-(3-thiophen-2-ylpropyl)piperazine?
1-(2-benzhydryloxyethyl)-4-(3-thiophen-2-ylpropyl)piperazine has a molecular weight of 420.62 g/mol, XLogP of 5.10, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)-4-(3-thiophen-2-ylpropyl)piperazine is sourced from PubChem (CID 10717041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).