1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine

C13H23N3S — CID 79658844

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)C1CN(C)CCN1C
InChIInChI=1S/C13H23N3S/c1-14-12(9-11-5-4-8-17-11)13-10-15(2)6-7-16(13)3/h4-5,8,12-14H,6-7,9-10H2,1-3H3
InChIKeyQLAAFFAAYRKQAH-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.12
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine

1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine (PubChem CID 79658844) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine
PubChem CID79658844
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)C1CN(C)CCN1C
InChIInChI=1S/C13H23N3S/c1-14-12(9-11-5-4-8-17-11)13-10-15(2)6-7-16(13)3/h4-5,8,12-14H,6-7,9-10H2,1-3H3
InChIKeyQLAAFFAAYRKQAH-UHFFFAOYSA-N
XLogP1.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79659510
2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658770
2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 103048909
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658687
[1-(4-methylmorpholin-2-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105244528
[1-(1,4-dimethylpiperazin-2-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105260267
N-methyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine
CID 79657546
1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine
CID 63861480
2-(3-chloro-4-pyridinyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658432
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 79659440
1-(2,2-dimethylcyclopentyl)-N-methyl-2-thiophen-2-ylethanamine
CID 107179492
2-cyclopentyl-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658507

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine (CID 79658844) is 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine is CNC(Cc1cccs1)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine?
The InChIKey is QLAAFFAAYRKQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-14-12(9-11-5-4-8-17-11)13-10-15(2)6-7-16(13)3/h4-5,8,12-14H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine?
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine has a molecular weight of 253.41 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 79658844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).