3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid

C10H17F3N2O2 — CID 55215845

IUPAC3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid
SMILESCC1CN(C(CC(=O)O)C(F)(F)F)CCN1C
InChIInChI=1S/C10H17F3N2O2/c1-7-6-15(4-3-14(7)2)8(5-9(16)17)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyYKIYWJZLRHSJIX-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.03
Rot. Bonds3

About 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid

3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid (PubChem CID 55215845) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid
PubChem CID55215845
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid
SMILESCC1CN(C(CC(=O)O)C(F)(F)F)CCN1C
InChIInChI=1S/C10H17F3N2O2/c1-7-6-15(4-3-14(7)2)8(5-9(16)17)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyYKIYWJZLRHSJIX-UHFFFAOYSA-N
XLogP1.03
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid 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

1,4-Dimethyl-2-piperazineacetic acid
CID 3146197
3-[4-(Trifluoromethyl)piperazin-1-yl]propanoic acid
CID 174410674
(2S)-1-(2,2-difluoroethyl)-4-methylpiperazine-2-carboxylic acid
CID 178028120
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]propanoic acid
CID 43397216
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanoic acid
CID 55140002
2,2-Dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
CID 55141944
2-Methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butanoic acid
CID 55142133
3-[Butan-2-yl(butyl)amino]-4,4,4-trifluorobutanoic acid
CID 55146327
3-(4-Ethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid
CID 55148618
3-(4-Butan-2-ylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid
CID 55148641
3-(4-Ethyl-3-methylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid
CID 55215847
3-(3-Ethyl-4-methylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid
CID 55215849

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid (CID 55215845) is 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid is CC1CN(C(CC(=O)O)C(F)(F)F)CCN1C.
What is the InChIKey of 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid?
The InChIKey is YKIYWJZLRHSJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7-6-15(4-3-14(7)2)8(5-9(16)17)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid?
3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid has a molecular weight of 254.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 55215845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).