N'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

C14H24F6N4 — CID 109377451

IUPACN'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCCCCC(F)(F)F)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C14H24F6N4/c1-11(14(18,19)20)23-7-9-24(10-8-23)12(21-2)22-6-4-3-5-13(15,16)17/h11H,3-10H2,1-2H3,(H,21,22)
InChIKeySJVICWZTDXFKDZ-UHFFFAOYSA-N
MW362.36 g/mol
LogP2.86
Rot. Bonds5

About N'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

N'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (PubChem CID 109377451) has the molecular formula C14H24F6N4 and a molecular weight of 362.36 g/mol. Its IUPAC name is N'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
PubChem CID109377451
Molecular FormulaC14H24F6N4
Molecular Weight362.36 g/mol
Exact Mass362.19
IUPAC NameN'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCCCCC(F)(F)F)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C14H24F6N4/c1-11(14(18,19)20)23-7-9-24(10-8-23)12(21-2)22-6-4-3-5-13(15,16)17/h11H,3-10H2,1-2H3,(H,21,22)
InChIKeySJVICWZTDXFKDZ-UHFFFAOYSA-N
XLogP2.86
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (CID 109377451) is N'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is C/N=C(\NCCCCC(F)(F)F)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The InChIKey is SJVICWZTDXFKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F6N4/c1-11(14(18,19)20)23-7-9-24(10-8-23)12(21-2)22-6-4-3-5-13(15,16)17/h11H,3-10H2,1-2H3,(H,21,22).
What are the key properties of N'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
N'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide has a molecular weight of 362.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 109377451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).