1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine

C16H28N2S — CID 64948574

IUPAC1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(C(C)c2cc(C)sc2C)C(C)CN1
InChIInChI=1S/C16H28N2S/c1-6-7-15-10-18(11(2)9-17-15)13(4)16-8-12(3)19-14(16)5/h8,11,13,15,17H,6-7,9-10H2,1-5H3
InChIKeyURNWTZSUFPEMOH-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.89
Rot. Bonds4

About 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine

1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine (PubChem CID 64948574) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine
PubChem CID64948574
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(C(C)c2cc(C)sc2C)C(C)CN1
InChIInChI=1S/C16H28N2S/c1-6-7-15-10-18(11(2)9-17-15)13(4)16-8-12(3)19-14(16)5/h8,11,13,15,17H,6-7,9-10H2,1-5H3
InChIKeyURNWTZSUFPEMOH-UHFFFAOYSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64948573
2,4-dimethyl-5-[1-(2-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64947629
9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64948572
5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine
CID 64945888
1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
CID 64945692
1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine
CID 106043841
1-butan-2-yl-5-ethyl-2-methylpiperazine
CID 64931407
5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 64947244
2-ethyl-5-propyl-1-(1-pyridin-2-ylethyl)piperazine
CID 64934355
2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64948206
1-(4-fluoro-3-methylphenyl)-2-methyl-5-propylpiperazine
CID 64940190
1-[1-(3-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
CID 64945730

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine?
The IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine (CID 64948574) is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine.
What is the SMILES notation for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine?
The canonical SMILES for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine is CCCC1CN(C(C)c2cc(C)sc2C)C(C)CN1.
What is the InChIKey of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine?
The InChIKey is URNWTZSUFPEMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-6-7-15-10-18(11(2)9-17-15)13(4)16-8-12(3)19-14(16)5/h8,11,13,15,17H,6-7,9-10H2,1-5H3.
What are the key properties of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine?
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine has a molecular weight of 280.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine is sourced from PubChem (CID 64948574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).