5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine

C16H26N2S — CID 64934290

IUPAC5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine
SMILESCCC1(CC)CN(c2cccc(SC)c2)C(C)CN1
InChIInChI=1S/C16H26N2S/c1-5-16(6-2)12-18(13(3)11-17-16)14-8-7-9-15(10-14)19-4/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeyFRVLXTDVEGSVHE-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.77
Rot. Bonds4

About 5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine

5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine (PubChem CID 64934290) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine.

Molecular Properties

Compound Name5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine
PubChem CID64934290
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine
SMILESCCC1(CC)CN(c2cccc(SC)c2)C(C)CN1
InChIInChI=1S/C16H26N2S/c1-5-16(6-2)12-18(13(3)11-17-16)14-8-7-9-15(10-14)19-4/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeyFRVLXTDVEGSVHE-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine
CID 64947033
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine
CID 64931200
5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine
CID 66353525
5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
CID 64946713
3-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline
CID 64939408
5,5-diethyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
CID 64931196
2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine
CID 64934482
N,N-dimethyl-3-(2,5,5-triethylpiperazin-1-yl)aniline
CID 115379242
4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64931877
1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine
CID 64931392
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-2-methyl-1-(3-methylsulfanylphenyl)piperazine?
The IUPAC name of 5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine (CID 64934290) is 5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine.
What is the SMILES notation for 5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine?
The canonical SMILES for 5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine is CCC1(CC)CN(c2cccc(SC)c2)C(C)CN1.
What is the InChIKey of 5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine?
The InChIKey is FRVLXTDVEGSVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-5-16(6-2)12-18(13(3)11-17-16)14-8-7-9-15(10-14)19-4/h7-10,13,17H,5-6,11-12H2,1-4H3.
What are the key properties of 5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine?
5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine has a molecular weight of 278.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine is sourced from PubChem (CID 64934290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).