2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine

C17H28N2O — CID 64977794

IUPAC2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
SMILESCCC1CN(C(C)c2ccc(OC)cc2)C(CC)CN1
InChIInChI=1S/C17H28N2O/c1-5-15-12-19(16(6-2)11-18-15)13(3)14-7-9-17(20-4)10-8-14/h7-10,13,15-16,18H,5-6,11-12H2,1-4H3
InChIKeyMNZIAWXYTXOFRV-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds5

About 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine

2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine (PubChem CID 64977794) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
PubChem CID64977794
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
SMILESCCC1CN(C(C)c2ccc(OC)cc2)C(CC)CN1
InChIInChI=1S/C17H28N2O/c1-5-15-12-19(16(6-2)11-18-15)13(3)14-7-9-17(20-4)10-8-14/h7-10,13,15-16,18H,5-6,11-12H2,1-4H3
InChIKeyMNZIAWXYTXOFRV-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
CID 66244508
5-[1-[(2R,5S)-2,5-diethylpiperazin-1-yl]ethyl]-2,1-benzothiazole
CID 177310021
3-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzonitrile
CID 64978138
1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine
CID 64977829
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine
CID 64948086
2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64930546
1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
CID 64945692
1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine
CID 64934081
4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol
CID 64977805
2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64848535
5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine
CID 64842896
2-ethyl-1-(4-methoxyphenyl)-5-propan-2-ylpiperazine
CID 64954255

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine (CID 64977794) is 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine is CCC1CN(C(C)c2ccc(OC)cc2)C(CC)CN1.
What is the InChIKey of 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine?
The InChIKey is MNZIAWXYTXOFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-15-12-19(16(6-2)11-18-15)13(3)14-7-9-17(20-4)10-8-14/h7-10,13,15-16,18H,5-6,11-12H2,1-4H3.
What are the key properties of 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine?
2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine has a molecular weight of 276.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 64977794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).