5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine

C17H28N2O — CID 64947033

IUPAC5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine
SMILESCCC1(CC)CN(c2cccc(COC)c2)C(C)CN1
InChIInChI=1S/C17H28N2O/c1-5-17(6-2)13-19(14(3)11-18-17)16-9-7-8-15(10-16)12-20-4/h7-10,14,18H,5-6,11-13H2,1-4H3
InChIKeyZWIVATYCTRQCLC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.19
Rot. Bonds5

About 5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine

5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine (PubChem CID 64947033) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine
PubChem CID64947033
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine
SMILESCCC1(CC)CN(c2cccc(COC)c2)C(C)CN1
InChIInChI=1S/C17H28N2O/c1-5-17(6-2)13-19(14(3)11-18-17)16-9-7-8-15(10-16)12-20-4/h7-10,14,18H,5-6,11-13H2,1-4H3
InChIKeyZWIVATYCTRQCLC-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine
CID 64934290
5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine
CID 64946263
4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64931877
5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine
CID 66353525
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine
CID 64931200
5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
CID 64946713
5,5-diethyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
CID 64931196
1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine
CID 64931392
5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64860604
1-benzyl-5,5-diethyl-2-methylpiperazine
CID 64862341
5-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline
CID 64933141
1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine
CID 64941560

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine?
The IUPAC name of 5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine (CID 64947033) is 5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine?
The canonical SMILES for 5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine is CCC1(CC)CN(c2cccc(COC)c2)C(C)CN1.
What is the InChIKey of 5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine?
The InChIKey is ZWIVATYCTRQCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-17(6-2)13-19(14(3)11-18-17)16-9-7-8-15(10-16)12-20-4/h7-10,14,18H,5-6,11-13H2,1-4H3.
What are the key properties of 5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine?
5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine has a molecular weight of 276.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine is sourced from PubChem (CID 64947033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).