3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine

C17H24N4S — CID 133469202

IUPAC3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCC2CCN(Cc3cccs3)CC2)n1
InChIInChI=1S/C17H24N4S/c1-13-10-18-14(2)17(20-13)19-11-15-5-7-21(8-6-15)12-16-4-3-9-22-16/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,19,20)
InChIKeyIWHKNWJVNDFISZ-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.48
Rot. Bonds5

About 3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine

3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine (PubChem CID 133469202) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
PubChem CID133469202
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCC2CCN(Cc3cccs3)CC2)n1
InChIInChI=1S/C17H24N4S/c1-13-10-18-14(2)17(20-13)19-11-15-5-7-21(8-6-15)12-16-4-3-9-22-16/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,19,20)
InChIKeyIWHKNWJVNDFISZ-UHFFFAOYSA-N
XLogP3.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine 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

5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine
CID 122151089
2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591872
2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133300088
6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133284621
2-methyl-6-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrazine
CID 125019406
2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081480
2-methyl-1-propan-2-yl-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine
CID 111125522
3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine
CID 63388749
N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide
CID 99633253
2-(cyclopropylmethyl)-1-ethyl-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111869881
1-butyl-2-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine
CID 111150815
2-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111892674

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine (CID 133469202) is 3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine is Cc1cnc(C)c(NCC2CCN(Cc3cccs3)CC2)n1.
What is the InChIKey of 3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The InChIKey is IWHKNWJVNDFISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-13-10-18-14(2)17(20-13)19-11-15-5-7-21(8-6-15)12-16-4-3-9-22-16/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,19,20).
What are the key properties of 3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine?
3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine has a molecular weight of 316.47 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 133469202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).