3-propyl-1-(1-thiophen-2-ylethyl)piperazine

C13H22N2S — CID 64925498

IUPAC3-propyl-1-(1-thiophen-2-ylethyl)piperazine
SMILESCCCC1CN(C(C)c2cccs2)CCN1
InChIInChI=1S/C13H22N2S/c1-3-5-12-10-15(8-7-14-12)11(2)13-6-4-9-16-13/h4,6,9,11-12,14H,3,5,7-8,10H2,1-2H3
InChIKeyAQBHDEZVWGUKPE-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.88
Rot. Bonds4

About 3-propyl-1-(1-thiophen-2-ylethyl)piperazine

3-propyl-1-(1-thiophen-2-ylethyl)piperazine (PubChem CID 64925498) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3-propyl-1-(1-thiophen-2-ylethyl)piperazine.

Molecular Properties

Compound Name3-propyl-1-(1-thiophen-2-ylethyl)piperazine
PubChem CID64925498
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3-propyl-1-(1-thiophen-2-ylethyl)piperazine
SMILESCCCC1CN(C(C)c2cccs2)CCN1
InChIInChI=1S/C13H22N2S/c1-3-5-12-10-15(8-7-14-12)11(2)13-6-4-9-16-13/h4,6,9,11-12,14H,3,5,7-8,10H2,1-2H3
InChIKeyAQBHDEZVWGUKPE-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-methylthiophen-2-yl)ethyl]-3-propyl-1,4-diazepane
CID 64942657
5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole
CID 106389972
1-[1-(2-chlorophenyl)ethyl]-3-propyl-1,4-diazepane
CID 64943637
1-heptan-2-yl-3-propylpiperazine
CID 64924539
1-octan-4-yl-3-propylpiperazine
CID 114138506
(3S)-1-[(1S)-1-thiophen-2-ylethyl]pyrrolidin-3-amine
CID 93316384
3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane
CID 64944577
1-(2-methyl-2-thiophen-2-ylpropyl)-3-propyl-1,4-diazepane
CID 80527693
7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
CID 64870012
1,3,5-tris(1-thiophen-2-ylethyl)-1,3,5-triazinane
CID 68714918
3-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane
CID 64942847
[(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol
CID 98084280

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(1-thiophen-2-ylethyl)piperazine?
The IUPAC name of 3-propyl-1-(1-thiophen-2-ylethyl)piperazine (CID 64925498) is 3-propyl-1-(1-thiophen-2-ylethyl)piperazine.
What is the SMILES notation for 3-propyl-1-(1-thiophen-2-ylethyl)piperazine?
The canonical SMILES for 3-propyl-1-(1-thiophen-2-ylethyl)piperazine is CCCC1CN(C(C)c2cccs2)CCN1.
What is the InChIKey of 3-propyl-1-(1-thiophen-2-ylethyl)piperazine?
The InChIKey is AQBHDEZVWGUKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-5-12-10-15(8-7-14-12)11(2)13-6-4-9-16-13/h4,6,9,11-12,14H,3,5,7-8,10H2,1-2H3.
What are the key properties of 3-propyl-1-(1-thiophen-2-ylethyl)piperazine?
3-propyl-1-(1-thiophen-2-ylethyl)piperazine has a molecular weight of 238.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(1-thiophen-2-ylethyl)piperazine is sourced from PubChem (CID 64925498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).