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

C10H17F3N4 — CID 62967432

IUPACN'-cyclopropyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESN/C(=N\C1CC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N4/c11-10(12,13)7-16-3-5-17(6-4-16)9(14)15-8-1-2-8/h8H,1-7H2,(H2,14,15)
InChIKeyOVJUYQNDWWHLAK-UHFFFAOYSA-N
MW250.27 g/mol
LogP0.64
Rot. Bonds2

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

N'-cyclopropyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (PubChem CID 62967432) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is N'-cyclopropyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
PubChem CID62967432
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC NameN'-cyclopropyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESN/C(=N\C1CC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N4/c11-10(12,13)7-16-3-5-17(6-4-16)9(14)15-8-1-2-8/h8H,1-7H2,(H2,14,15)
InChIKeyOVJUYQNDWWHLAK-UHFFFAOYSA-N
XLogP0.64
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 50.64
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'-cyclopropyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-cyclopropyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (CID 62967432) is N'-cyclopropyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-cyclopropyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is N/C(=N\C1CC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N'-cyclopropyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The InChIKey is OVJUYQNDWWHLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4/c11-10(12,13)7-16-3-5-17(6-4-16)9(14)15-8-1-2-8/h8H,1-7H2,(H2,14,15).
What are the key properties of N'-cyclopropyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
N'-cyclopropyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide has a molecular weight of 250.27 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 62967432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).