4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide

C20H22F2N4 — CID 111101089

IUPAC4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide
SMILESN/C(=N\C1CC1c1ccccc1F)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22F2N4/c21-14-5-7-15(8-6-14)25-9-11-26(12-10-25)20(23)24-19-13-17(19)16-3-1-2-4-18(16)22/h1-8,17,19H,9-13H2,(H2,23,24)
InChIKeyPOGKIUULUVRAQH-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.96
Rot. Bonds3

About 4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide

4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide (PubChem CID 111101089) has the molecular formula C20H22F2N4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide
PubChem CID111101089
Molecular FormulaC20H22F2N4
Molecular Weight356.42 g/mol
Exact Mass356.18
IUPAC Name4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide
SMILESN/C(=N\C1CC1c1ccccc1F)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22F2N4/c21-14-5-7-15(8-6-14)25-9-11-26(12-10-25)20(23)24-19-13-17(19)16-3-1-2-4-18(16)22/h1-8,17,19H,9-13H2,(H2,23,24)
InChIKeyPOGKIUULUVRAQH-UHFFFAOYSA-N
XLogP2.96
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.96
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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Related Compounds

N'-[2-(2-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide
CID 111101017
4-(4-fluorophenyl)-N'-(2-methylcyclobutyl)piperazine-1-carboximidamide;hydroiodide
CID 120973992
N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide
CID 111815372
N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120606097
N'-(2-chloroprop-2-enyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119147921
N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120671570
N'-[(1S,2R)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]thiomorpholine-4-carboximidamide
CID 120671512
4-(4-fluorophenyl)-N'-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111088954
4-pyrimidin-2-yl-N'-[(1R,2S)-2-(3,4,5-trifluorophenyl)cyclopropyl]piperazine-1-carboximidamide
CID 120671406
1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine
CID 122098698
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide (CID 111101089) is 4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide is N/C(=N\C1CC1c1ccccc1F)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide?
The InChIKey is POGKIUULUVRAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4/c21-14-5-7-15(8-6-14)25-9-11-26(12-10-25)20(23)24-19-13-17(19)16-3-1-2-4-18(16)22/h1-8,17,19H,9-13H2,(H2,23,24).
What are the key properties of 4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide?
4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide has a molecular weight of 356.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111101089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).