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

C20H23F3N4O — CID 111823761

IUPACN'-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
SMILESCC(O)(C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C20H23F3N4O/c1-20(28,17-7-4-15(22)12-18(17)23)13-25-19(24)27-10-8-26(9-11-27)16-5-2-14(21)3-6-16/h2-7,12,28H,8-11,13H2,1H3,(H2,24,25)
InChIKeyFAOHIUHZUFSVTH-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.45
Rot. Bonds4

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

N'-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide (PubChem CID 111823761) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is N'-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
PubChem CID111823761
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC NameN'-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
SMILESCC(O)(C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C20H23F3N4O/c1-20(28,17-7-4-15(22)12-18(17)23)13-25-19(24)27-10-8-26(9-11-27)16-5-2-14(21)3-6-16/h2-7,12,28H,8-11,13H2,1H3,(H2,24,25)
InChIKeyFAOHIUHZUFSVTH-UHFFFAOYSA-N
XLogP2.45
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(4-fluorophenyl)-N'-(2-methyl-2-methylsulfonylpropyl)piperazine-1-carboximidamide
CID 111752144
N'-(2-chloroprop-2-enyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119147921
4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide
CID 111823913
4-(4-chlorophenyl)-N'-(2-ethyl-2-hydroxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 111089094
tert-butyl 2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]acetate;hydroiodide
CID 111801469
N'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 75482749
4-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methyl]piperazine-1-carboximidamide
CID 111042071
N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111055396
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
4-(4-fluorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
CID 120973301
4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide
CID 111802248
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The IUPAC name of N'-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide (CID 111823761) is N'-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide is CC(O)(C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1F.
What is the InChIKey of N'-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The InChIKey is FAOHIUHZUFSVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c1-20(28,17-7-4-15(22)12-18(17)23)13-25-19(24)27-10-8-26(9-11-27)16-5-2-14(21)3-6-16/h2-7,12,28H,8-11,13H2,1H3,(H2,24,25).
What are the key properties of N'-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide?
N'-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide has a molecular weight of 392.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111823761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).