1-benzyl-3-(2-methylsulfanylethyl)piperazine

C14H22N2S — CID 24948382

IUPAC1-benzyl-3-(2-methylsulfanylethyl)piperazine
SMILESCSCCC1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C14H22N2S/c1-17-10-7-14-12-16(9-8-15-14)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyKTJCLLHVCSLTGA-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.21
Rot. Bonds5

About 1-benzyl-3-(2-methylsulfanylethyl)piperazine

1-benzyl-3-(2-methylsulfanylethyl)piperazine (PubChem CID 24948382) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-benzyl-3-(2-methylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-benzyl-3-(2-methylsulfanylethyl)piperazine
PubChem CID24948382
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-benzyl-3-(2-methylsulfanylethyl)piperazine
SMILESCSCCC1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C14H22N2S/c1-17-10-7-14-12-16(9-8-15-14)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyKTJCLLHVCSLTGA-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methylsulfanylethyl)piperazine?
The IUPAC name of 1-benzyl-3-(2-methylsulfanylethyl)piperazine (CID 24948382) is 1-benzyl-3-(2-methylsulfanylethyl)piperazine.
What is the SMILES notation for 1-benzyl-3-(2-methylsulfanylethyl)piperazine?
The canonical SMILES for 1-benzyl-3-(2-methylsulfanylethyl)piperazine is CSCCC1CN(Cc2ccccc2)CCN1.
What is the InChIKey of 1-benzyl-3-(2-methylsulfanylethyl)piperazine?
The InChIKey is KTJCLLHVCSLTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-17-10-7-14-12-16(9-8-15-14)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3.
What are the key properties of 1-benzyl-3-(2-methylsulfanylethyl)piperazine?
1-benzyl-3-(2-methylsulfanylethyl)piperazine has a molecular weight of 250.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methylsulfanylethyl)piperazine is sourced from PubChem (CID 24948382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).