3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine

C12H21N3S — CID 82021708

IUPAC3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine
SMILESCN1CCN(CCC(N)c2cccs2)CC1
InChIInChI=1S/C12H21N3S/c1-14-6-8-15(9-7-14)5-4-11(13)12-3-2-10-16-12/h2-3,10-11H,4-9,13H2,1H3
InChIKeyMNNOHYUSFVLGJA-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.39
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine

3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine (PubChem CID 82021708) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine
PubChem CID82021708
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine
SMILESCN1CCN(CCC(N)c2cccs2)CC1
InChIInChI=1S/C12H21N3S/c1-14-6-8-15(9-7-14)5-4-11(13)12-3-2-10-16-12/h2-3,10-11H,4-9,13H2,1H3
InChIKeyMNNOHYUSFVLGJA-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 115287657
2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 113279389
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 82026679
2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 115287841
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 113279452
2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine
CID 115287909
1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 113279454
2-(azocan-1-yl)-1-thiophen-2-ylethanamine
CID 115287666
(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 7127651
2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 115285943
1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine
CID 55021852

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine (CID 82021708) is 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine is CN1CCN(CCC(N)c2cccs2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine?
The InChIKey is MNNOHYUSFVLGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-14-6-8-15(9-7-14)5-4-11(13)12-3-2-10-16-12/h2-3,10-11H,4-9,13H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine?
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 82021708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).