4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide

C18H30FIN4O — CID 110029201

IUPAC4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide
SMILESCC(C)OCCCC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I
InChIInChI=1S/C18H29FN4O.HI/c1-15(2)24-14-4-3-9-21-18(20)23-12-10-22(11-13-23)17-7-5-16(19)6-8-17;/h5-8,15H,3-4,9-14H2,1-2H3,(H2,20,21);1H
InChIKeyZXPOWXOHMHRXBK-UHFFFAOYSA-N
MW464.37 g/mol
LogP3.09
Rot. Bonds7

About 4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide

4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 110029201) has the molecular formula C18H30FIN4O and a molecular weight of 464.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID110029201
Molecular FormulaC18H30FIN4O
Molecular Weight464.37 g/mol
Exact Mass464.14
IUPAC Name4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide
SMILESCC(C)OCCCC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I
InChIInChI=1S/C18H29FN4O.HI/c1-15(2)24-14-4-3-9-21-18(20)23-12-10-22(11-13-23)17-7-5-16(19)6-8-17;/h5-8,15H,3-4,9-14H2,1-2H3,(H2,20,21);1H
InChIKeyZXPOWXOHMHRXBK-UHFFFAOYSA-N
XLogP3.09
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide
CID 10065552
N'-[3-(2-fluoro-N-methylanilino)propyl]morpholine-4-carboximidamide
CID 121560350
2-Oxazolamine, 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4,5-dihydro-N,N-dimethyl-
CID 551124
2-Oxazolamine, 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4,5-dihydro-
CID 606213
1,1-Dimethyl-2-(2-morpholinophenyl)guanidine
CID 9885407
N'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide
CID 10380508
N-(5-fluoro-2-morpholin-4-ylphenyl)-1,3-dimethylimidazolidin-2-imine
CID 15746325
1-Butyl-3-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylguanidine
CID 15746421
1,1-Dimethyl-2-(5-fluoro-2-morpholinophenyl)guanidine
CID 18952226
1-Tert-butyl-3-(4-fluoro-2-morpholin-4-ylphenyl)-2-methylguanidine
CID 18952262
1-Butyl-3-(2-fluoro-6-morpholin-4-ylphenyl)-2-methylguanidine
CID 54089569
2-Tert-butyl-1-(4-fluoro-2-morpholin-4-ylphenyl)guanidine
CID 67870937

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide (CID 110029201) is 4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide is CC(C)OCCCC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I.
What is the InChIKey of 4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is ZXPOWXOHMHRXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN4O.HI/c1-15(2)24-14-4-3-9-21-18(20)23-12-10-22(11-13-23)17-7-5-16(19)6-8-17;/h5-8,15H,3-4,9-14H2,1-2H3,(H2,20,21);1H.
What are the key properties of 4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide?
4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 464.37 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110029201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).