1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine

C15H24N2O — CID 64877643

IUPAC1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine
SMILESCCOCCN1CC(c2ccccc2)NCC1C
InChIInChI=1S/C15H24N2O/c1-3-18-10-9-17-12-15(16-11-13(17)2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3
InChIKeyAMLLLBOVRRFKKV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.06
Rot. Bonds5

About 1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine

1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine (PubChem CID 64877643) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine
PubChem CID64877643
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine
SMILESCCOCCN1CC(c2ccccc2)NCC1C
InChIInChI=1S/C15H24N2O/c1-3-18-10-9-17-12-15(16-11-13(17)2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3
InChIKeyAMLLLBOVRRFKKV-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.06
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 1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine?
The IUPAC name of 1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine (CID 64877643) is 1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine?
The canonical SMILES for 1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine is CCOCCN1CC(c2ccccc2)NCC1C.
What is the InChIKey of 1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine?
The InChIKey is AMLLLBOVRRFKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-18-10-9-17-12-15(16-11-13(17)2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine?
1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine is sourced from PubChem (CID 64877643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).