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

C11H21F3N4 — CID 62967568

IUPACN'-tert-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESCC(C)(C)/N=C(\N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4/c1-10(2,3)16-9(15)18-6-4-17(5-7-18)8-11(12,13)14/h4-8H2,1-3H3,(H2,15,16)
InChIKeyKNDUAKVIGZKTQF-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.28
Rot. Bonds1

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

N'-tert-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (PubChem CID 62967568) has the molecular formula C11H21F3N4 and a molecular weight of 266.31 g/mol. Its IUPAC name is N'-tert-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
PubChem CID62967568
Molecular FormulaC11H21F3N4
Molecular Weight266.31 g/mol
Exact Mass266.17
IUPAC NameN'-tert-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESCC(C)(C)/N=C(\N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4/c1-10(2,3)16-9(15)18-6-4-17(5-7-18)8-11(12,13)14/h4-8H2,1-3H3,(H2,15,16)
InChIKeyKNDUAKVIGZKTQF-UHFFFAOYSA-N
XLogP1.28
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.28
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'-tert-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-tert-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (CID 62967568) is N'-tert-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-tert-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-tert-butyl-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'-tert-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The InChIKey is KNDUAKVIGZKTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4/c1-10(2,3)16-9(15)18-6-4-17(5-7-18)8-11(12,13)14/h4-8H2,1-3H3,(H2,15,16).
What are the key properties of N'-tert-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
N'-tert-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide has a molecular weight of 266.31 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 62967568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).