N'-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

C10H19F3N4 — CID 109376817

IUPACN'-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESCC/N=C(\N)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4/c1-3-15-9(14)17-6-4-16(5-7-17)8(2)10(11,12)13/h8H,3-7H2,1-2H3,(H2,14,15)
InChIKeyZIMFIQMIIPVJTM-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.89
Rot. Bonds2

About N'-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

N'-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (PubChem CID 109376817) has the molecular formula C10H19F3N4 and a molecular weight of 252.28 g/mol. Its IUPAC name is N'-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
PubChem CID109376817
Molecular FormulaC10H19F3N4
Molecular Weight252.28 g/mol
Exact Mass252.16
IUPAC NameN'-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESCC/N=C(\N)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4/c1-3-15-9(14)17-6-4-16(5-7-17)8(2)10(11,12)13/h8H,3-7H2,1-2H3,(H2,14,15)
InChIKeyZIMFIQMIIPVJTM-UHFFFAOYSA-N
XLogP0.89
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (CID 109376817) is N'-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is CC/N=C(\N)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N'-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The InChIKey is ZIMFIQMIIPVJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4/c1-3-15-9(14)17-6-4-16(5-7-17)8(2)10(11,12)13/h8H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of N'-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
N'-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide has a molecular weight of 252.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 109376817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).