5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine

C17H28N2O — CID 64842896

IUPAC5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(CC)CN1Cc1ccc(OC)cc1
InChIInChI=1S/C17H28N2O/c1-4-6-16-11-18-15(5-2)13-19(16)12-14-7-9-17(20-3)10-8-14/h7-10,15-16,18H,4-6,11-13H2,1-3H3
InChIKeyIKBOSJXKKQIOFV-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds6

About 5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine

5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine (PubChem CID 64842896) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine
PubChem CID64842896
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(CC)CN1Cc1ccc(OC)cc1
InChIInChI=1S/C17H28N2O/c1-4-6-16-11-18-15(5-2)13-19(16)12-14-7-9-17(20-3)10-8-14/h7-10,15-16,18H,4-6,11-13H2,1-3H3
InChIKeyIKBOSJXKKQIOFV-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine?
The IUPAC name of 5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine (CID 64842896) is 5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine.
What is the SMILES notation for 5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine?
The canonical SMILES for 5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine is CCCC1CNC(CC)CN1Cc1ccc(OC)cc1.
What is the InChIKey of 5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine?
The InChIKey is IKBOSJXKKQIOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-6-16-11-18-15(5-2)13-19(16)12-14-7-9-17(20-3)10-8-14/h7-10,15-16,18H,4-6,11-13H2,1-3H3.
What are the key properties of 5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine?
5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine is sourced from PubChem (CID 64842896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).