1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine

C16H26N2O — CID 64947274

IUPAC1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine
SMILESCCOc1cccc(N2CC(C)(C)NCC2CC)c1
InChIInChI=1S/C16H26N2O/c1-5-13-11-17-16(3,4)12-18(13)14-8-7-9-15(10-14)19-6-2/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeyWFPZLORVNWTFDQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.05
Rot. Bonds4

About 1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine

1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine (PubChem CID 64947274) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine
PubChem CID64947274
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine
SMILESCCOc1cccc(N2CC(C)(C)NCC2CC)c1
InChIInChI=1S/C16H26N2O/c1-5-13-11-17-16(3,4)12-18(13)14-8-7-9-15(10-14)19-6-2/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeyWFPZLORVNWTFDQ-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine
CID 64930171
1-(3-ethoxyphenyl)-3,3-dimethylpiperazine
CID 64952517
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine
CID 64931800
2-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylpiperazine
CID 64935550
1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine
CID 64930956
1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64934161
1-(3-chloro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64933334
5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine
CID 64946263
2-ethyl-1-[2-(methoxymethyl)phenyl]-5,5-dimethylpiperazine
CID 64946267
N,N-dimethyl-3-(2,5,5-triethylpiperazin-1-yl)aniline
CID 115379242
3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64932241
2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine
CID 79785793

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine?
The IUPAC name of 1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine (CID 64947274) is 1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine is CCOc1cccc(N2CC(C)(C)NCC2CC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine?
The InChIKey is WFPZLORVNWTFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-13-11-17-16(3,4)12-18(13)14-8-7-9-15(10-14)19-6-2/h7-10,13,17H,5-6,11-12H2,1-4H3.
What are the key properties of 1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine?
1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine is sourced from PubChem (CID 64947274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).