1-[3-(2-ethoxyphenoxy)propyl]piperazine

C15H24N2O2 — CID 2581595

IUPAC1-[3-(2-ethoxyphenoxy)propyl]piperazine
SMILESCCOc1ccccc1OCCCN1CCNCC1
InChIInChI=1S/C15H24N2O2/c1-2-18-14-6-3-4-7-15(14)19-13-5-10-17-11-8-16-9-12-17/h3-4,6-7,16H,2,5,8-13H2,1H3
InChIKeyKOZMEYMGOKZJCW-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.76
Rot. Bonds7

About 1-[3-(2-ethoxyphenoxy)propyl]piperazine

1-[3-(2-ethoxyphenoxy)propyl]piperazine (PubChem CID 2581595) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[3-(2-ethoxyphenoxy)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(2-ethoxyphenoxy)propyl]piperazine
PubChem CID2581595
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[3-(2-ethoxyphenoxy)propyl]piperazine
SMILESCCOc1ccccc1OCCCN1CCNCC1
InChIInChI=1S/C15H24N2O2/c1-2-18-14-6-3-4-7-15(14)19-13-5-10-17-11-8-16-9-12-17/h3-4,6-7,16H,2,5,8-13H2,1H3
InChIKeyKOZMEYMGOKZJCW-UHFFFAOYSA-N
XLogP1.76
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
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-[3-(2-ethoxyphenoxy)propyl]piperazine?
The IUPAC name of 1-[3-(2-ethoxyphenoxy)propyl]piperazine (CID 2581595) is 1-[3-(2-ethoxyphenoxy)propyl]piperazine.
What is the SMILES notation for 1-[3-(2-ethoxyphenoxy)propyl]piperazine?
The canonical SMILES for 1-[3-(2-ethoxyphenoxy)propyl]piperazine is CCOc1ccccc1OCCCN1CCNCC1.
What is the InChIKey of 1-[3-(2-ethoxyphenoxy)propyl]piperazine?
The InChIKey is KOZMEYMGOKZJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-18-14-6-3-4-7-15(14)19-13-5-10-17-11-8-16-9-12-17/h3-4,6-7,16H,2,5,8-13H2,1H3.
What are the key properties of 1-[3-(2-ethoxyphenoxy)propyl]piperazine?
1-[3-(2-ethoxyphenoxy)propyl]piperazine has a molecular weight of 264.37 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxyphenoxy)propyl]piperazine is sourced from PubChem (CID 2581595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).