1-methyl-4-(5-propylthiophen-3-yl)piperazine

C12H20N2S — CID 57004932

IUPAC1-methyl-4-(5-propylthiophen-3-yl)piperazine
SMILESCCCc1cc(N2CCN(C)CC2)cs1
InChIInChI=1S/C12H20N2S/c1-3-4-12-9-11(10-15-12)14-7-5-13(2)6-8-14/h9-10H,3-8H2,1-2H3
InChIKeyWLXUTUXUYZAKBK-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.45
Rot. Bonds3

About 1-methyl-4-(5-propylthiophen-3-yl)piperazine

1-methyl-4-(5-propylthiophen-3-yl)piperazine (PubChem CID 57004932) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-methyl-4-(5-propylthiophen-3-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(5-propylthiophen-3-yl)piperazine
PubChem CID57004932
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-methyl-4-(5-propylthiophen-3-yl)piperazine
SMILESCCCc1cc(N2CCN(C)CC2)cs1
InChIInChI=1S/C12H20N2S/c1-3-4-12-9-11(10-15-12)14-7-5-13(2)6-8-14/h9-10H,3-8H2,1-2H3
InChIKeyWLXUTUXUYZAKBK-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-propylthiophen-3-yl)piperazine?
The IUPAC name of 1-methyl-4-(5-propylthiophen-3-yl)piperazine (CID 57004932) is 1-methyl-4-(5-propylthiophen-3-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(5-propylthiophen-3-yl)piperazine?
The canonical SMILES for 1-methyl-4-(5-propylthiophen-3-yl)piperazine is CCCc1cc(N2CCN(C)CC2)cs1.
What is the InChIKey of 1-methyl-4-(5-propylthiophen-3-yl)piperazine?
The InChIKey is WLXUTUXUYZAKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-4-12-9-11(10-15-12)14-7-5-13(2)6-8-14/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-methyl-4-(5-propylthiophen-3-yl)piperazine?
1-methyl-4-(5-propylthiophen-3-yl)piperazine has a molecular weight of 224.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-propylthiophen-3-yl)piperazine is sourced from PubChem (CID 57004932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).