1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine

C16H28N4S — CID 155539892

IUPAC1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine
SMILESCN1CCN(Cc2ccc(CN3CCN(C)CC3)s2)CC1
InChIInChI=1S/C16H28N4S/c1-17-5-9-19(10-6-17)13-15-3-4-16(21-15)14-20-11-7-18(2)8-12-20/h3-4H,5-14H2,1-2H3
InChIKeyAKRNQZKOUPOXOZ-UHFFFAOYSA-N
MW308.49 g/mol
LogP1.24
Rot. Bonds4

About 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine

1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine (PubChem CID 155539892) has the molecular formula C16H28N4S and a molecular weight of 308.49 g/mol. Its IUPAC name is 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine
PubChem CID155539892
Molecular FormulaC16H28N4S
Molecular Weight308.49 g/mol
Exact Mass308.20
IUPAC Name1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine
SMILESCN1CCN(Cc2ccc(CN3CCN(C)CC3)s2)CC1
InChIInChI=1S/C16H28N4S/c1-17-5-9-19(10-6-17)13-15-3-4-16(21-15)14-20-11-7-18(2)8-12-20/h3-4H,5-14H2,1-2H3
InChIKeyAKRNQZKOUPOXOZ-UHFFFAOYSA-N
XLogP1.24
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[5-(Thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine
CID 155558013
(4-Benzylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanethione
CID 2455027
Piperazinium, 1,1-dimethyl-4-(1-(2-thienyl)cyclohexyl)-, iodide
CID 3057403
2-(4-Methylpiperazin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 3261684
2-(4-Methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride
CID 45261293
Cambridge id 5425530
CID 757773
1-Methyl-4-[(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]piperazine
CID 2826292
1-Benzyl-4-[(3-methyl-2-thienyl)methyl]piperazine
CID 561083
1-Methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine
CID 763355
1-[(5-Methylthiophen-2-yl)methyl]piperidine
CID 71347301
1-[(5-Bromothiophen-2-yl)methyl]-4-ethylpiperazine
CID 763267
Piperazine, 1-ethyl-4-(2-thienylmethyl)-(9CI)
CID 763721

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine (CID 155539892) is 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine is CN1CCN(Cc2ccc(CN3CCN(C)CC3)s2)CC1.
What is the InChIKey of 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine?
The InChIKey is AKRNQZKOUPOXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-17-5-9-19(10-6-17)13-15-3-4-16(21-15)14-20-11-7-18(2)8-12-20/h3-4H,5-14H2,1-2H3.
What are the key properties of 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine?
1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine has a molecular weight of 308.49 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine is sourced from PubChem (CID 155539892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).