1-methyl-4-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]piperazine

C15H26N4S — CID 2826292

IUPAC1-methyl-4-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]piperazine
SMILESCN1CCN(C(c2cccs2)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H26N4S/c1-16-5-9-18(10-6-16)15(14-4-3-13-20-14)19-11-7-17(2)8-12-19/h3-4,13,15H,5-12H2,1-2H3
InChIKeyRZBNCCRYRIAZKR-UHFFFAOYSA-N
MW294.47 g/mol
LogP1.24
Rot. Bonds3

About 1-methyl-4-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]piperazine

1-methyl-4-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]piperazine (PubChem CID 2826292) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]piperazine
PubChem CID2826292
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name1-methyl-4-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]piperazine
SMILESCN1CCN(C(c2cccs2)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H26N4S/c1-16-5-9-18(10-6-16)15(14-4-3-13-20-14)19-11-7-17(2)8-12-19/h3-4,13,15H,5-12H2,1-2H3
InChIKeyRZBNCCRYRIAZKR-UHFFFAOYSA-N
XLogP1.24
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-methyl-4-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]piperazine (CID 2826292) is 1-methyl-4-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-methyl-4-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]piperazine is CN1CCN(C(c2cccs2)N2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]piperazine?
The InChIKey is RZBNCCRYRIAZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-16-5-9-18(10-6-16)15(14-4-3-13-20-14)19-11-7-17(2)8-12-19/h3-4,13,15H,5-12H2,1-2H3.
What are the key properties of 1-methyl-4-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]piperazine?
1-methyl-4-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]piperazine has a molecular weight of 294.47 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 2826292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).