2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid

C12H18N2O2S — CID 83979331

IUPAC2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid
SMILESCC1CN(C(C(=O)O)c2cccs2)CCN1C
InChIInChI=1S/C12H18N2O2S/c1-9-8-14(6-5-13(9)2)11(12(15)16)10-4-3-7-17-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyKFNVKMOLOHNJHB-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.51
Rot. Bonds3

About 2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid

2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid (PubChem CID 83979331) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid
PubChem CID83979331
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid
SMILESCC1CN(C(C(=O)O)c2cccs2)CCN1C
InChIInChI=1S/C12H18N2O2S/c1-9-8-14(6-5-13(9)2)11(12(15)16)10-4-3-7-17-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyKFNVKMOLOHNJHB-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 83977734
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 113279250
2-(3,4-dimethylpiperazin-1-yl)propanoic acid
CID 63609228
2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid
CID 83979590
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid
CID 86309571
2-(3,4-dimethylpiperazin-1-yl)-1-phenylbutan-1-one
CID 55215618
2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 83979348
2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone
CID 83979359
2-(3,4-dimethylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)acetonitrile
CID 112540080
2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylacetic acid
CID 113278959
2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol
CID 82979211
tert-butyl (2S)-2-methyl-4-[(1S)-1-thiophen-2-ylethyl]piperazine-1-carboxylate
CID 97175637

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid (CID 83979331) is 2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid is CC1CN(C(C(=O)O)c2cccs2)CCN1C.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid?
The InChIKey is KFNVKMOLOHNJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-8-14(6-5-13(9)2)11(12(15)16)10-4-3-7-17-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid?
2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid has a molecular weight of 254.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 83979331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).