1-[(4-ethoxyphenyl)methyl]piperazine

C13H20N2O — CID 796533

IUPAC1-[(4-ethoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C13H20N2O/c1-2-16-13-5-3-12(4-6-13)11-15-9-7-14-8-10-15/h3-6,14H,2,7-11H2,1H3
InChIKeyUBALQHBNQQCDGM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.49
Rot. Bonds4

About 1-[(4-ethoxyphenyl)methyl]piperazine

1-[(4-ethoxyphenyl)methyl]piperazine (PubChem CID 796533) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]piperazine
PubChem CID796533
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[(4-ethoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C13H20N2O/c1-2-16-13-5-3-12(4-6-13)11-15-9-7-14-8-10-15/h3-6,14H,2,7-11H2,1H3
InChIKeyUBALQHBNQQCDGM-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]piperazine (CID 796533) is 1-[(4-ethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]piperazine is CCOc1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]piperazine?
The InChIKey is UBALQHBNQQCDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-16-13-5-3-12(4-6-13)11-15-9-7-14-8-10-15/h3-6,14H,2,7-11H2,1H3.
What are the key properties of 1-[(4-ethoxyphenyl)methyl]piperazine?
1-[(4-ethoxyphenyl)methyl]piperazine has a molecular weight of 220.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 796533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).