N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide

C12H24F3IN4 — CID 109376408

IUPACN,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESCC/N=C(\NCC)N1CCN(C(C)C(F)(F)F)CC1.I
InChIInChI=1S/C12H23F3N4.HI/c1-4-16-11(17-5-2)19-8-6-18(7-9-19)10(3)12(13,14)15;/h10H,4-9H2,1-3H3,(H,16,17);1H
InChIKeyXRDSKFRBHAWZSV-UHFFFAOYSA-N
MW408.25 g/mol
LogP2.16
Rot. Bonds3

About N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide

N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 109376408) has the molecular formula C12H24F3IN4 and a molecular weight of 408.25 g/mol. Its IUPAC name is N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
PubChem CID109376408
Molecular FormulaC12H24F3IN4
Molecular Weight408.25 g/mol
Exact Mass408.10
IUPAC NameN,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESCC/N=C(\NCC)N1CCN(C(C)C(F)(F)F)CC1.I
InChIInChI=1S/C12H23F3N4.HI/c1-4-16-11(17-5-2)19-8-6-18(7-9-19)10(3)12(13,14)15;/h10H,4-9H2,1-3H3,(H,16,17);1H
InChIKeyXRDSKFRBHAWZSV-UHFFFAOYSA-N
XLogP2.16
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 52.16
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 109376408) is N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide is CC/N=C(\NCC)N1CCN(C(C)C(F)(F)F)CC1.I.
What is the InChIKey of N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is XRDSKFRBHAWZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4.HI/c1-4-16-11(17-5-2)19-8-6-18(7-9-19)10(3)12(13,14)15;/h10H,4-9H2,1-3H3,(H,16,17);1H.
What are the key properties of N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 408.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109376408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).