2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide

C10H19F3N4 — CID 62967357

IUPAC2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4/c1-8(9(14)15)6-16-2-4-17(5-3-16)7-10(11,12)13/h8H,2-7H2,1H3,(H3,14,15)
InChIKeyFOTZSPLVNSPMAK-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.74
Rot. Bonds4

About 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide

2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide (PubChem CID 62967357) has the molecular formula C10H19F3N4 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound Name2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
PubChem CID62967357
Molecular FormulaC10H19F3N4
Molecular Weight252.28 g/mol
Exact Mass252.16
IUPAC Name2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4/c1-8(9(14)15)6-16-2-4-17(5-3-16)7-10(11,12)13/h8H,2-7H2,1H3,(H3,14,15)
InChIKeyFOTZSPLVNSPMAK-UHFFFAOYSA-N
XLogP0.74
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanimidamide
CID 55139805
5-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pentanimidamide
CID 55139806
3-[2,2-Difluoroethyl(ethyl)amino]-2-methylpropanimidamide
CID 61577218
3-[Ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide
CID 61577345
2-Methyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 61604560
3-[2,2-Difluoroethyl(2-methylpropyl)amino]propanimidamide
CID 61662511
3-[2-Methylpropyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 61662757
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]propanimidamide
CID 62967182
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pentanimidamide
CID 62967183
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanimidamide
CID 62967358
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]propanimidamide
CID 62967530
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanimidamide
CID 62967531

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide?
The IUPAC name of 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide (CID 62967357) is 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide is [H]/N=C(\N)C(C)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide?
The InChIKey is FOTZSPLVNSPMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4/c1-8(9(14)15)6-16-2-4-17(5-3-16)7-10(11,12)13/h8H,2-7H2,1H3,(H3,14,15).
What are the key properties of 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide?
2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide has a molecular weight of 252.28 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 62967357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).