3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanimidamide

C9H17F3N4O — CID 103369207

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanimidamide
SMILESCN1CCN(CC(C(N)=NO)C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N4O/c1-15-2-4-16(5-3-15)6-7(8(13)14-17)9(10,11)12/h7,17H,2-6H2,1H3,(H2,13,14)
InChIKeyOEMPRGASIOCCRT-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.16
Rot. Bonds3

About 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanimidamide (PubChem CID 103369207) has the molecular formula C9H17F3N4O and a molecular weight of 254.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanimidamide
PubChem CID103369207
Molecular FormulaC9H17F3N4O
Molecular Weight254.26 g/mol
Exact Mass254.14
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanimidamide
SMILESCN1CCN(CC(C(N)=NO)C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N4O/c1-15-2-4-16(5-3-15)6-7(8(13)14-17)9(10,11)12/h7,17H,2-6H2,1H3,(H2,13,14)
InChIKeyOEMPRGASIOCCRT-UHFFFAOYSA-N
XLogP0.16
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanimidamide 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

(1Z)-N'-Hydroxy-3-(4-methyl-1-piperazinyl)propanimidamide
CID 24692428
N'-hydroxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 55139613
N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 55139614
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 55201587
2-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 62967357
N'-hydroxy-2-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanimidamide
CID 65538059
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 76174765
N'-hydroxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 76209340
N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 76209341
3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910344
3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910355
N'-hydroxy-2-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76912533

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanimidamide (CID 103369207) is 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanimidamide is CN1CCN(CC(C(N)=NO)C(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanimidamide?
The InChIKey is OEMPRGASIOCCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N4O/c1-15-2-4-16(5-3-15)6-7(8(13)14-17)9(10,11)12/h7,17H,2-6H2,1H3,(H2,13,14).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanimidamide has a molecular weight of 254.26 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]propanimidamide is sourced from PubChem (CID 103369207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).