N'-[(2,6-difluorophenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide

C18H19F3N4 — CID 75426954

IUPACN'-[(2,6-difluorophenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
SMILESN/C(=N\Cc1c(F)cccc1F)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19F3N4/c19-13-4-6-14(7-5-13)24-8-10-25(11-9-24)18(22)23-12-15-16(20)2-1-3-17(15)21/h1-7H,8-12H2,(H2,22,23)
InChIKeyRHFGXIZUGKJFKX-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.74
Rot. Bonds3

About N'-[(2,6-difluorophenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide

N'-[(2,6-difluorophenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide (PubChem CID 75426954) has the molecular formula C18H19F3N4 and a molecular weight of 348.37 g/mol. Its IUPAC name is N'-[(2,6-difluorophenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(2,6-difluorophenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
PubChem CID75426954
Molecular FormulaC18H19F3N4
Molecular Weight348.37 g/mol
Exact Mass348.16
IUPAC NameN'-[(2,6-difluorophenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
SMILESN/C(=N\Cc1c(F)cccc1F)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19F3N4/c19-13-4-6-14(7-5-13)24-8-10-25(11-9-24)18(22)23-12-15-16(20)2-1-3-17(15)21/h1-7H,8-12H2,(H2,22,23)
InChIKeyRHFGXIZUGKJFKX-UHFFFAOYSA-N
XLogP2.74
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.74
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'-[(2,6-difluorophenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The IUPAC name of N'-[(2,6-difluorophenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide (CID 75426954) is N'-[(2,6-difluorophenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-[(2,6-difluorophenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-[(2,6-difluorophenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide is N/C(=N\Cc1c(F)cccc1F)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N'-[(2,6-difluorophenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The InChIKey is RHFGXIZUGKJFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4/c19-13-4-6-14(7-5-13)24-8-10-25(11-9-24)18(22)23-12-15-16(20)2-1-3-17(15)21/h1-7H,8-12H2,(H2,22,23).
What are the key properties of N'-[(2,6-difluorophenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide?
N'-[(2,6-difluorophenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide has a molecular weight of 348.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,6-difluorophenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide is sourced from PubChem (CID 75426954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).