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

C9H17F3N4 — CID 62967570

IUPACN'-ethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESCC/N=C(\N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N4/c1-2-14-8(13)16-5-3-15(4-6-16)7-9(10,11)12/h2-7H2,1H3,(H2,13,14)
InChIKeyGDBZULPEASHIPM-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.50
Rot. Bonds2

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

N'-ethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (PubChem CID 62967570) has the molecular formula C9H17F3N4 and a molecular weight of 238.26 g/mol. Its IUPAC name is N'-ethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
PubChem CID62967570
Molecular FormulaC9H17F3N4
Molecular Weight238.26 g/mol
Exact Mass238.14
IUPAC NameN'-ethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESCC/N=C(\N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N4/c1-2-14-8(13)16-5-3-15(4-6-16)7-9(10,11)12/h2-7H2,1H3,(H2,13,14)
InChIKeyGDBZULPEASHIPM-UHFFFAOYSA-N
XLogP0.50
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.50
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-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-ethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (CID 62967570) is N'-ethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-ethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is CC/N=C(\N)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N'-ethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The InChIKey is GDBZULPEASHIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N4/c1-2-14-8(13)16-5-3-15(4-6-16)7-9(10,11)12/h2-7H2,1H3,(H2,13,14).
What are the key properties of N'-ethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
N'-ethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide has a molecular weight of 238.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 62967570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).