1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine

C17H28N2O — CID 64931392

IUPAC1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine
SMILESCCOc1ccccc1N1CC(CC)(CC)NCC1C
InChIInChI=1S/C17H28N2O/c1-5-17(6-2)13-19(14(4)12-18-17)15-10-8-9-11-16(15)20-7-3/h8-11,14,18H,5-7,12-13H2,1-4H3
InChIKeyZDWYSBVWNLBYKF-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.44
Rot. Bonds5

About 1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine

1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine (PubChem CID 64931392) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine
PubChem CID64931392
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine
SMILESCCOc1ccccc1N1CC(CC)(CC)NCC1C
InChIInChI=1S/C17H28N2O/c1-5-17(6-2)13-19(14(4)12-18-17)15-10-8-9-11-16(15)20-7-3/h8-11,14,18H,5-7,12-13H2,1-4H3
InChIKeyZDWYSBVWNLBYKF-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline
CID 64933141
5,5-diethyl-1-[2-(2-methoxyphenyl)ethyl]-2-methylpiperazine
CID 106261604
5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine
CID 64947033
1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine
CID 64941560
1-benzyl-5,5-diethyl-2-methylpiperazine
CID 64862341
5-ethyl-1-(2-ethylphenyl)-2,5-dimethylpiperazine
CID 64932411
5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine
CID 66353525
5-ethyl-2,5-dimethyl-1-(2-methylphenyl)piperazine
CID 64930880
5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine
CID 64934290
1-(2-ethoxyphenyl)-2-methylpiperidin-4-one
CID 54975575
N,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline
CID 106760860
3,3-diethyl-1-(2-methoxyphenyl)piperazine
CID 64918499

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine?
The IUPAC name of 1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine (CID 64931392) is 1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine is CCOc1ccccc1N1CC(CC)(CC)NCC1C.
What is the InChIKey of 1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine?
The InChIKey is ZDWYSBVWNLBYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-17(6-2)13-19(14(4)12-18-17)15-10-8-9-11-16(15)20-7-3/h8-11,14,18H,5-7,12-13H2,1-4H3.
What are the key properties of 1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine?
1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine has a molecular weight of 276.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine is sourced from PubChem (CID 64931392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).