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

C12H23F3N4 — CID 109376409

IUPACN,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESCC/N=C(\NCC)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N4/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)
InChIKeyHWYWWCDKRSGEDE-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.54
Rot. Bonds3

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

N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (PubChem CID 109376409) has the molecular formula C12H23F3N4 and a molecular weight of 280.34 g/mol. Its IUPAC name is N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
PubChem CID109376409
Molecular FormulaC12H23F3N4
Molecular Weight280.34 g/mol
Exact Mass280.19
IUPAC NameN,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESCC/N=C(\NCC)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N4/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)
InChIKeyHWYWWCDKRSGEDE-UHFFFAOYSA-N
XLogP1.54
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.54
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,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (CID 109376409) is N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is CC/N=C(\NCC)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The InChIKey is HWYWWCDKRSGEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4/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).
What are the key properties of N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide has a molecular weight of 280.34 g/mol, XLogP of 1.54, 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 is sourced from PubChem (CID 109376409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).