N'-[(3,5-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboximidamide

C18H19F3N4 — CID 75467034

IUPACN'-[(3,5-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboximidamide
SMILESN/C(=N\Cc1cc(F)cc(F)c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H19F3N4/c19-14-9-13(10-15(20)11-14)12-23-18(22)25-7-5-24(6-8-25)17-4-2-1-3-16(17)21/h1-4,9-11H,5-8,12H2,(H2,22,23)
InChIKeyDJQJPQDCYALSJX-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.74
Rot. Bonds3

About N'-[(3,5-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboximidamide

N'-[(3,5-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboximidamide (PubChem CID 75467034) has the molecular formula C18H19F3N4 and a molecular weight of 348.37 g/mol. Its IUPAC name is N'-[(3,5-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(3,5-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboximidamide
PubChem CID75467034
Molecular FormulaC18H19F3N4
Molecular Weight348.37 g/mol
Exact Mass348.16
IUPAC NameN'-[(3,5-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboximidamide
SMILESN/C(=N\Cc1cc(F)cc(F)c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H19F3N4/c19-14-9-13(10-15(20)11-14)12-23-18(22)25-7-5-24(6-8-25)17-4-2-1-3-16(17)21/h1-4,9-11H,5-8,12H2,(H2,22,23)
InChIKeyDJQJPQDCYALSJX-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'}

Analyze N'-[(3,5-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Antazoline
CID 2200
1-Benzyl-4-phenylpiperazine
CID 511484
2,8-Difluoro-11-(4-Methylpiperazin-1-Yl)-5h-Dibenzo[b,E][1,4]diazepine
CID 137125256
1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride
CID 10247719
N-butyl-4-[4-[4-(N-butylcarbamimidoyl)phenyl]piperazin-1-yl]benzamidine
CID 3013108
1(2H)-Quinolinecarboximidamide, 3,4-dihydro-2-methyl-N-phenyl-, monohydrochloride
CID 3052007
1,4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperazine
CID 480184
4-(4-Fluoroanilino)-6-[(1-phenylethyl)amino]-1,3,5-triazine-2-thiol
CID 2892943
6,6-Dimethyl-1-[3-(phenylselanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 16073807
1-(3,5-Dimethylphenyl)-6-(2-fluorophenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 17060769
Cambridge id 5267164
CID 1377211
N,N'-di-(m-ethylphenyl)-N-methylguanidine
CID 9921810

Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboximidamide?
The IUPAC name of N'-[(3,5-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboximidamide (CID 75467034) is N'-[(3,5-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-[(3,5-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-[(3,5-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboximidamide is N/C(=N\Cc1cc(F)cc(F)c1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N'-[(3,5-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboximidamide?
The InChIKey is DJQJPQDCYALSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4/c19-14-9-13(10-15(20)11-14)12-23-18(22)25-7-5-24(6-8-25)17-4-2-1-3-16(17)21/h1-4,9-11H,5-8,12H2,(H2,22,23).
What are the key properties of N'-[(3,5-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboximidamide?
N'-[(3,5-difluorophenyl)methyl]-4-(2-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'-[(3,5-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboximidamide is sourced from PubChem (CID 75467034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).