N'-[2-(2-fluorophenyl)phenyl]-4-methylpiperazine-1-carboximidamide

C18H21FN4 — CID 19089232

IUPACN'-[2-(2-fluorophenyl)phenyl]-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(N)=N/c2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C18H21FN4/c1-22-10-12-23(13-11-22)18(20)21-17-9-5-3-7-15(17)14-6-2-4-8-16(14)19/h2-9H,10-13H2,1H3,(H2,20,21)
InChIKeyIWRDPOIIEYVLEK-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.69
Rot. Bonds2

About N'-[2-(2-fluorophenyl)phenyl]-4-methylpiperazine-1-carboximidamide

N'-[2-(2-fluorophenyl)phenyl]-4-methylpiperazine-1-carboximidamide (PubChem CID 19089232) has the molecular formula C18H21FN4 and a molecular weight of 312.39 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)phenyl]-4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)phenyl]-4-methylpiperazine-1-carboximidamide
PubChem CID19089232
Molecular FormulaC18H21FN4
Molecular Weight312.39 g/mol
Exact Mass312.18
IUPAC NameN'-[2-(2-fluorophenyl)phenyl]-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(N)=N/c2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C18H21FN4/c1-22-10-12-23(13-11-22)18(20)21-17-9-5-3-7-15(17)14-6-2-4-8-16(14)19/h2-9H,10-13H2,1H3,(H2,20,21)
InChIKeyIWRDPOIIEYVLEK-UHFFFAOYSA-N
XLogP2.69
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.69
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-(2-fluorophenyl)phenyl]-4-methylpiperazine-1-carboximidamide?
The IUPAC name of N'-[2-(2-fluorophenyl)phenyl]-4-methylpiperazine-1-carboximidamide (CID 19089232) is N'-[2-(2-fluorophenyl)phenyl]-4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)phenyl]-4-methylpiperazine-1-carboximidamide?
The canonical SMILES for N'-[2-(2-fluorophenyl)phenyl]-4-methylpiperazine-1-carboximidamide is CN1CCN(/C(N)=N/c2ccccc2-c2ccccc2F)CC1.
What is the InChIKey of N'-[2-(2-fluorophenyl)phenyl]-4-methylpiperazine-1-carboximidamide?
The InChIKey is IWRDPOIIEYVLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4/c1-22-10-12-23(13-11-22)18(20)21-17-9-5-3-7-15(17)14-6-2-4-8-16(14)19/h2-9H,10-13H2,1H3,(H2,20,21).
What are the key properties of N'-[2-(2-fluorophenyl)phenyl]-4-methylpiperazine-1-carboximidamide?
N'-[2-(2-fluorophenyl)phenyl]-4-methylpiperazine-1-carboximidamide has a molecular weight of 312.39 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)phenyl]-4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 19089232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).