5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine

C16H26N2S — CID 64936280

IUPAC5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine
SMILESCCC1CNC(Cc2ccccc2)CN1CCSC
InChIInChI=1S/C16H26N2S/c1-3-16-12-17-15(13-18(16)9-10-19-2)11-14-7-5-4-6-8-14/h4-8,15-17H,3,9-13H2,1-2H3
InChIKeyJCMBKEHVUXFETM-UHFFFAOYSA-N
MW278.46 g/mol
LogP2.64
Rot. Bonds6

About 5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine

5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine (PubChem CID 64936280) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine.

Molecular Properties

Compound Name5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine
PubChem CID64936280
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine
SMILESCCC1CNC(Cc2ccccc2)CN1CCSC
InChIInChI=1S/C16H26N2S/c1-3-16-12-17-15(13-18(16)9-10-19-2)11-14-7-5-4-6-8-14/h4-8,15-17H,3,9-13H2,1-2H3
InChIKeyJCMBKEHVUXFETM-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine
CID 82926510
5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine
CID 64849551
5-benzyl-1-(2-methoxyethyl)-2-propylpiperazine
CID 64848203
5-benzyl-1-tert-butyl-2-ethylpiperazine
CID 64952265
2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine
CID 80696999
(5-benzyl-1-ethylpiperazin-2-yl)methanol
CID 82243258
2-benzyl-5-ethyl-1-pentylpiperazine
CID 64843710
2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine
CID 64942402
1,2,5-tribenzylpiperazine
CID 64850137
5-benzyl-1-prop-2-enyl-2-propylpiperazine
CID 64847816
2-benzyl-5-ethyl-1-methylpiperazine
CID 64843712
(2S,5S)-5-benzyl-1,2-dimethylpiperazine
CID 82396489

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine?
The IUPAC name of 5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine (CID 64936280) is 5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine.
What is the SMILES notation for 5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine?
The canonical SMILES for 5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine is CCC1CNC(Cc2ccccc2)CN1CCSC.
What is the InChIKey of 5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine?
The InChIKey is JCMBKEHVUXFETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-3-16-12-17-15(13-18(16)9-10-19-2)11-14-7-5-4-6-8-14/h4-8,15-17H,3,9-13H2,1-2H3.
What are the key properties of 5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine?
5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine has a molecular weight of 278.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine is sourced from PubChem (CID 64936280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).