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

C11H21F3N4 — CID 62967429

IUPACN'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4/c1-9(2)7-16-10(15)18-5-3-17(4-6-18)8-11(12,13)14/h9H,3-8H2,1-2H3,(H2,15,16)
InChIKeyBXOLZOZBKYMKQL-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.14
Rot. Bonds3

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

N'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (PubChem CID 62967429) has the molecular formula C11H21F3N4 and a molecular weight of 266.31 g/mol. Its IUPAC name is N'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
PubChem CID62967429
Molecular FormulaC11H21F3N4
Molecular Weight266.31 g/mol
Exact Mass266.17
IUPAC NameN'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4/c1-9(2)7-16-10(15)18-5-3-17(4-6-18)8-11(12,13)14/h9H,3-8H2,1-2H3,(H2,15,16)
InChIKeyBXOLZOZBKYMKQL-UHFFFAOYSA-N
XLogP1.14
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.14
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'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (CID 62967429) is N'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is CC(C)C/N=C(\N)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The InChIKey is BXOLZOZBKYMKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4/c1-9(2)7-16-10(15)18-5-3-17(4-6-18)8-11(12,13)14/h9H,3-8H2,1-2H3,(H2,15,16).
What are the key properties of N'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
N'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide has a molecular weight of 266.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 62967429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).