1-methyl-4-(2-propoxy-2-thiophen-2-ylethyl)piperazine

C14H24N2OS — CID 142603248

IUPAC1-methyl-4-(2-propoxy-2-thiophen-2-ylethyl)piperazine
SMILESCCCOC(CN1CCN(C)CC1)c1cccs1
InChIInChI=1S/C14H24N2OS/c1-3-10-17-13(14-5-4-11-18-14)12-16-8-6-15(2)7-9-16/h4-5,11,13H,3,6-10,12H2,1-2H3
InChIKeyMGBPIKDJIWFZGS-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.46
Rot. Bonds6

About 1-methyl-4-(2-propoxy-2-thiophen-2-ylethyl)piperazine

1-methyl-4-(2-propoxy-2-thiophen-2-ylethyl)piperazine (PubChem CID 142603248) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-methyl-4-(2-propoxy-2-thiophen-2-ylethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2-propoxy-2-thiophen-2-ylethyl)piperazine
PubChem CID142603248
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-methyl-4-(2-propoxy-2-thiophen-2-ylethyl)piperazine
SMILESCCCOC(CN1CCN(C)CC1)c1cccs1
InChIInChI=1S/C14H24N2OS/c1-3-10-17-13(14-5-4-11-18-14)12-16-8-6-15(2)7-9-16/h4-5,11,13H,3,6-10,12H2,1-2H3
InChIKeyMGBPIKDJIWFZGS-UHFFFAOYSA-N
XLogP2.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-propoxy-2-thiophen-2-ylethyl)piperazine?
The IUPAC name of 1-methyl-4-(2-propoxy-2-thiophen-2-ylethyl)piperazine (CID 142603248) is 1-methyl-4-(2-propoxy-2-thiophen-2-ylethyl)piperazine.
What is the SMILES notation for 1-methyl-4-(2-propoxy-2-thiophen-2-ylethyl)piperazine?
The canonical SMILES for 1-methyl-4-(2-propoxy-2-thiophen-2-ylethyl)piperazine is CCCOC(CN1CCN(C)CC1)c1cccs1.
What is the InChIKey of 1-methyl-4-(2-propoxy-2-thiophen-2-ylethyl)piperazine?
The InChIKey is MGBPIKDJIWFZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-10-17-13(14-5-4-11-18-14)12-16-8-6-15(2)7-9-16/h4-5,11,13H,3,6-10,12H2,1-2H3.
What are the key properties of 1-methyl-4-(2-propoxy-2-thiophen-2-ylethyl)piperazine?
1-methyl-4-(2-propoxy-2-thiophen-2-ylethyl)piperazine has a molecular weight of 268.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-propoxy-2-thiophen-2-ylethyl)piperazine is sourced from PubChem (CID 142603248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).