1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine

C15H28N4S — CID 62886596

IUPAC1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(N)C(c1cccs1)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H28N4S/c1-13(16)15(14-5-4-12-20-14)19-10-8-18(9-11-19)7-6-17(2)3/h4-5,12-13,15H,6-11,16H2,1-3H3
InChIKeyRKROKLISHJMVGO-UHFFFAOYSA-N
MW296.48 g/mol
LogP1.32
Rot. Bonds6

About 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine

1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 62886596) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine
PubChem CID62886596
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC Name1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(N)C(c1cccs1)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H28N4S/c1-13(16)15(14-5-4-12-20-14)19-10-8-18(9-11-19)7-6-17(2)3/h4-5,12-13,15H,6-11,16H2,1-3H3
InChIKeyRKROKLISHJMVGO-UHFFFAOYSA-N
XLogP1.32
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
CID 51862509
(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
CID 51613857
1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone
CID 55022240
1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine
CID 55021852
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine
CID 82021708
2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 113279389
2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine
CID 115380421
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine
CID 62888898
2-(4-propylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 115287657
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine
CID 62885238
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine
CID 79408430
tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate
CID 104933493

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine (CID 62886596) is 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine is CC(N)C(c1cccs1)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is RKROKLISHJMVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-13(16)15(14-5-4-12-20-14)19-10-8-18(9-11-19)7-6-17(2)3/h4-5,12-13,15H,6-11,16H2,1-3H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine?
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 296.48 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 62886596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).