2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine

C12H26N2S — CID 64942402

IUPAC2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine
SMILESCCC1CN(CCCSC)C(CC)CN1
InChIInChI=1S/C12H26N2S/c1-4-11-10-14(7-6-8-15-3)12(5-2)9-13-11/h11-13H,4-10H2,1-3H3
InChIKeyOKDUSGGOMKVJPO-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.20
Rot. Bonds6

About 2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine

2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine (PubChem CID 64942402) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine.

Molecular Properties

Compound Name2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine
PubChem CID64942402
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine
SMILESCCC1CN(CCCSC)C(CC)CN1
InChIInChI=1S/C12H26N2S/c1-4-11-10-14(7-6-8-15-3)12(5-2)9-13-11/h11-13H,4-10H2,1-3H3
InChIKeyOKDUSGGOMKVJPO-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-1-octyl-2-propylpiperazine
CID 64841338
5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine
CID 64936280
3-(2,5-diethylpiperazin-1-yl)propanoic acid
CID 64978721
4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79355714
1-(3,3-diethoxypropyl)-2,5-diethylpiperazine
CID 81093832
2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
CID 115327036
1-(2-cyclopentyloxyethyl)-2,5-diethylpiperazine
CID 64941027
2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724
1-(cyclopentylmethyl)-2,5-diethylpiperazine
CID 64843856
1-[2-(2,5-diethylpiperazin-1-yl)ethyl]imidazolidin-2-one
CID 64978611
1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine
CID 106409149
1-(2-bromoprop-2-enyl)-2,5-diethylpiperazine
CID 64978694

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine?
The IUPAC name of 2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine (CID 64942402) is 2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine.
What is the SMILES notation for 2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine?
The canonical SMILES for 2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine is CCC1CN(CCCSC)C(CC)CN1.
What is the InChIKey of 2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine?
The InChIKey is OKDUSGGOMKVJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-4-11-10-14(7-6-8-15-3)12(5-2)9-13-11/h11-13H,4-10H2,1-3H3.
What are the key properties of 2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine?
2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine has a molecular weight of 230.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine is sourced from PubChem (CID 64942402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).