2-benzyl-1-(2-ethoxyethyl)piperazine

C15H24N2O — CID 64845833

IUPAC2-benzyl-1-(2-ethoxyethyl)piperazine
SMILESCCOCCN1CCNCC1Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-2-18-11-10-17-9-8-16-13-15(17)12-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3
InChIKeyHUSNIKVTZAQEQK-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.54
Rot. Bonds6

About 2-benzyl-1-(2-ethoxyethyl)piperazine

2-benzyl-1-(2-ethoxyethyl)piperazine (PubChem CID 64845833) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-benzyl-1-(2-ethoxyethyl)piperazine.

Molecular Properties

Compound Name2-benzyl-1-(2-ethoxyethyl)piperazine
PubChem CID64845833
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-benzyl-1-(2-ethoxyethyl)piperazine
SMILESCCOCCN1CCNCC1Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-2-18-11-10-17-9-8-16-13-15(17)12-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3
InChIKeyHUSNIKVTZAQEQK-UHFFFAOYSA-N
XLogP1.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(2-ethoxyethyl)piperazine?
The IUPAC name of 2-benzyl-1-(2-ethoxyethyl)piperazine (CID 64845833) is 2-benzyl-1-(2-ethoxyethyl)piperazine.
What is the SMILES notation for 2-benzyl-1-(2-ethoxyethyl)piperazine?
The canonical SMILES for 2-benzyl-1-(2-ethoxyethyl)piperazine is CCOCCN1CCNCC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-(2-ethoxyethyl)piperazine?
The InChIKey is HUSNIKVTZAQEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-18-11-10-17-9-8-16-13-15(17)12-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3.
What are the key properties of 2-benzyl-1-(2-ethoxyethyl)piperazine?
2-benzyl-1-(2-ethoxyethyl)piperazine has a molecular weight of 248.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(2-ethoxyethyl)piperazine is sourced from PubChem (CID 64845833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).