4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide

C10H19F3N4 — CID 55139805

IUPAC4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4/c11-10(12,13)8-17-6-4-16(5-7-17)3-1-2-9(14)15/h1-8H2,(H3,14,15)
InChIKeyZNYALIXSSAWOHQ-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.88
Rot. Bonds5

About 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide

4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide (PubChem CID 55139805) has the molecular formula C10H19F3N4 and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound Name4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
PubChem CID55139805
Molecular FormulaC10H19F3N4
Molecular Weight252.28 g/mol
Exact Mass252.16
IUPAC Name4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4/c11-10(12,13)8-17-6-4-16(5-7-17)3-1-2-9(14)15/h1-8H2,(H3,14,15)
InChIKeyZNYALIXSSAWOHQ-UHFFFAOYSA-N
XLogP0.88
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.88
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

4,4,4-Trifluoro-1-(4-methylpiperazin-1-yl)butan-1-imine
CID 79964690
4-Butyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
CID 163969478
N'-hydroxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 55139613
5-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pentanimidamide
CID 55139806
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]ethanimidamide
CID 62967010
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]propanimidamide
CID 62967182
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pentanimidamide
CID 62967183
2-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 62967357
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
1-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]propan-1-imine
CID 63181505

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide?
The IUPAC name of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide (CID 55139805) is 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide?
The canonical SMILES for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide is [H]/N=C(\N)CCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide?
The InChIKey is ZNYALIXSSAWOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4/c11-10(12,13)8-17-6-4-16(5-7-17)3-1-2-9(14)15/h1-8H2,(H3,14,15).
What are the key properties of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide?
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide has a molecular weight of 252.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide is sourced from PubChem (CID 55139805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).