1-(2-ethoxyphenyl)-4-[3-(3-phenylpropoxy)propyl]piperazine

C24H34N2O2 — CID 155551283

IUPAC1-(2-ethoxyphenyl)-4-[3-(3-phenylpropoxy)propyl]piperazine
SMILESCCOc1ccccc1N1CCN(CCCOCCCc2ccccc2)CC1
InChIInChI=1S/C24H34N2O2/c1-2-28-24-14-7-6-13-23(24)26-18-16-25(17-19-26)15-9-21-27-20-8-12-22-10-4-3-5-11-22/h3-7,10-11,13-14H,2,8-9,12,15-21H2,1H3
InChIKeyXFRQWFRRENAYEX-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.25
Rot. Bonds11

About 1-(2-ethoxyphenyl)-4-[3-(3-phenylpropoxy)propyl]piperazine

1-(2-ethoxyphenyl)-4-[3-(3-phenylpropoxy)propyl]piperazine (PubChem CID 155551283) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-[3-(3-phenylpropoxy)propyl]piperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-[3-(3-phenylpropoxy)propyl]piperazine
PubChem CID155551283
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name1-(2-ethoxyphenyl)-4-[3-(3-phenylpropoxy)propyl]piperazine
SMILESCCOc1ccccc1N1CCN(CCCOCCCc2ccccc2)CC1
InChIInChI=1S/C24H34N2O2/c1-2-28-24-14-7-6-13-23(24)26-18-16-25(17-19-26)15-9-21-27-20-8-12-22-10-4-3-5-11-22/h3-7,10-11,13-14H,2,8-9,12,15-21H2,1H3
InChIKeyXFRQWFRRENAYEX-UHFFFAOYSA-N
XLogP4.25
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethoxyphenyl)-4-[3-(3-phenylpropoxy)propyl]piperazine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-[3-(3-phenylpropoxy)propyl]piperazine (CID 155551283) is 1-(2-ethoxyphenyl)-4-[3-(3-phenylpropoxy)propyl]piperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-[3-(3-phenylpropoxy)propyl]piperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-[3-(3-phenylpropoxy)propyl]piperazine is CCOc1ccccc1N1CCN(CCCOCCCc2ccccc2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-[3-(3-phenylpropoxy)propyl]piperazine?
The InChIKey is XFRQWFRRENAYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-2-28-24-14-7-6-13-23(24)26-18-16-25(17-19-26)15-9-21-27-20-8-12-22-10-4-3-5-11-22/h3-7,10-11,13-14H,2,8-9,12,15-21H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-[3-(3-phenylpropoxy)propyl]piperazine?
1-(2-ethoxyphenyl)-4-[3-(3-phenylpropoxy)propyl]piperazine has a molecular weight of 382.55 g/mol, XLogP of 4.25, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-[3-(3-phenylpropoxy)propyl]piperazine is sourced from PubChem (CID 155551283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).