1-(2,5-diethoxyphenyl)-3-ethyl-3-methylpiperazine

C17H28N2O2 — CID 64925766

IUPAC1-(2,5-diethoxyphenyl)-3-ethyl-3-methylpiperazine
SMILESCCOc1ccc(OCC)c(N2CCNC(C)(CC)C2)c1
InChIInChI=1S/C17H28N2O2/c1-5-17(4)13-19(11-10-18-17)15-12-14(20-6-2)8-9-16(15)21-7-3/h8-9,12,18H,5-7,10-11,13H2,1-4H3
InChIKeyLSRDGKKWSGBIDW-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.06
Rot. Bonds6

About 1-(2,5-diethoxyphenyl)-3-ethyl-3-methylpiperazine

1-(2,5-diethoxyphenyl)-3-ethyl-3-methylpiperazine (PubChem CID 64925766) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(2,5-diethoxyphenyl)-3-ethyl-3-methylpiperazine.

Molecular Properties

Compound Name1-(2,5-diethoxyphenyl)-3-ethyl-3-methylpiperazine
PubChem CID64925766
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(2,5-diethoxyphenyl)-3-ethyl-3-methylpiperazine
SMILESCCOc1ccc(OCC)c(N2CCNC(C)(CC)C2)c1
InChIInChI=1S/C17H28N2O2/c1-5-17(4)13-19(11-10-18-17)15-12-14(20-6-2)8-9-16(15)21-7-3/h8-9,12,18H,5-7,10-11,13H2,1-4H3
InChIKeyLSRDGKKWSGBIDW-UHFFFAOYSA-N
XLogP3.06
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-diethoxyphenyl)-3-methyl-1,4-diazepane
CID 64943477
1-(2,5-diethoxyphenyl)piperidin-4-one
CID 24711374
1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine
CID 64924867
1-(3-ethoxyphenyl)-3,3-dimethylpiperazine
CID 64952517
1-(2,5-diethoxyphenyl)imidazolidine-2,4-dione
CID 79777449
1-(2-bromo-5-chlorophenyl)-3-ethyl-3-methylpiperazine
CID 81272053
1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methylpiperazine
CID 64924108
1-(2,5-diethoxyphenyl)-2-ethylpiperazine
CID 64937870
1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine
CID 64926797
1-(3-bromo-2-methylphenyl)-3-ethyl-3-methylpiperazine
CID 107639895
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine
CID 64926462
1-(3-ethoxy-5-nitrophenyl)-3,3-dimethylpiperazine
CID 82994311

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxyphenyl)-3-ethyl-3-methylpiperazine?
The IUPAC name of 1-(2,5-diethoxyphenyl)-3-ethyl-3-methylpiperazine (CID 64925766) is 1-(2,5-diethoxyphenyl)-3-ethyl-3-methylpiperazine.
What is the SMILES notation for 1-(2,5-diethoxyphenyl)-3-ethyl-3-methylpiperazine?
The canonical SMILES for 1-(2,5-diethoxyphenyl)-3-ethyl-3-methylpiperazine is CCOc1ccc(OCC)c(N2CCNC(C)(CC)C2)c1.
What is the InChIKey of 1-(2,5-diethoxyphenyl)-3-ethyl-3-methylpiperazine?
The InChIKey is LSRDGKKWSGBIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-17(4)13-19(11-10-18-17)15-12-14(20-6-2)8-9-16(15)21-7-3/h8-9,12,18H,5-7,10-11,13H2,1-4H3.
What are the key properties of 1-(2,5-diethoxyphenyl)-3-ethyl-3-methylpiperazine?
1-(2,5-diethoxyphenyl)-3-ethyl-3-methylpiperazine has a molecular weight of 292.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxyphenyl)-3-ethyl-3-methylpiperazine is sourced from PubChem (CID 64925766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).