4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine

C15H24N2S — CID 69210671

IUPAC4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine
SMILESCSCCC1CN(Cc2ccccc2)CCN1C
InChIInChI=1S/C15H24N2S/c1-16-9-10-17(13-15(16)8-11-18-2)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3
InChIKeyLXLKPZLQMCWWNH-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.56
Rot. Bonds5

About 4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine

4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine (PubChem CID 69210671) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine.

Molecular Properties

Compound Name4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine
PubChem CID69210671
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine
SMILESCSCCC1CN(Cc2ccccc2)CCN1C
InChIInChI=1S/C15H24N2S/c1-16-9-10-17(13-15(16)8-11-18-2)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3
InChIKeyLXLKPZLQMCWWNH-UHFFFAOYSA-N
XLogP2.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine
CID 82383657
2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45220474
4-benzyl-2-fluoro-1-methylpiperazine
CID 57015746
2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 124852713
[(2S)-4-benzyl-1-methylpiperazin-2-yl] acetate
CID 66769581
(1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine
CID 82380060
1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 60694335
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
CID 45213559
(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
CID 57436101
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
1-benzyl-3-methylpiperidine
CID 2794856

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine?
The IUPAC name of 4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine (CID 69210671) is 4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine.
What is the SMILES notation for 4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine?
The canonical SMILES for 4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine is CSCCC1CN(Cc2ccccc2)CCN1C.
What is the InChIKey of 4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine?
The InChIKey is LXLKPZLQMCWWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-16-9-10-17(13-15(16)8-11-18-2)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3.
What are the key properties of 4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine?
4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine has a molecular weight of 264.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine is sourced from PubChem (CID 69210671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).