2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C10H19F3N4O — CID 103369232

IUPAC2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN1CCN(CC(C(N)=NO)C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4O/c1-2-16-3-5-17(6-4-16)7-8(9(14)15-18)10(11,12)13/h8,18H,2-7H2,1H3,(H2,14,15)
InChIKeyIEKSOKUJSQDDGQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.55
Rot. Bonds4

About 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369232) has the molecular formula C10H19F3N4O and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369232
Molecular FormulaC10H19F3N4O
Molecular Weight268.28 g/mol
Exact Mass268.15
IUPAC Name2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN1CCN(CC(C(N)=NO)C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4O/c1-2-16-3-5-17(6-4-16)7-8(9(14)15-18)10(11,12)13/h8,18H,2-7H2,1H3,(H2,14,15)
InChIKeyIEKSOKUJSQDDGQ-UHFFFAOYSA-N
XLogP0.55
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.55
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'}

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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 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369232) is 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCN1CCN(CC(C(N)=NO)C(F)(F)F)CC1.
What is the InChIKey of 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is IEKSOKUJSQDDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O/c1-2-16-3-5-17(6-4-16)7-8(9(14)15-18)10(11,12)13/h8,18H,2-7H2,1H3,(H2,14,15).
What are the key properties of 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 268.28 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).