4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide

C18H30FIN4O — CID 111035685

IUPAC4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide
SMILESCC(C)COCCC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I
InChIInChI=1S/C18H29FN4O.HI/c1-15(2)14-24-13-3-8-21-18(20)23-11-9-22(10-12-23)17-6-4-16(19)5-7-17;/h4-7,15H,3,8-14H2,1-2H3,(H2,20,21);1H
InChIKeyKZKYDZSRTHQOIR-UHFFFAOYSA-N
MW464.37 g/mol
LogP2.94
Rot. Bonds7

About 4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide

4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111035685) has the molecular formula C18H30FIN4O and a molecular weight of 464.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID111035685
Molecular FormulaC18H30FIN4O
Molecular Weight464.37 g/mol
Exact Mass464.14
IUPAC Name4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide
SMILESCC(C)COCCC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I
InChIInChI=1S/C18H29FN4O.HI/c1-15(2)14-24-13-3-8-21-18(20)23-11-9-22(10-12-23)17-6-4-16(19)5-7-17;/h4-7,15H,3,8-14H2,1-2H3,(H2,20,21);1H
InChIKeyKZKYDZSRTHQOIR-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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'-(3-butoxypropyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111025856
4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 110029201
N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111075047
N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111821827
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide
CID 111035602
4-(4-fluorophenyl)-N'-(6-methylsulfanylhexyl)piperazine-1-carboximidamide;hydroiodide
CID 110032064
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
methyl 5-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]pentanoate;hydroiodide
CID 111086172
N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111099199
4-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111024115
propan-2-yl 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]propanoate
CID 111037134

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide (CID 111035685) is 4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide is CC(C)COCCC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is KZKYDZSRTHQOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN4O.HI/c1-15(2)14-24-13-3-8-21-18(20)23-11-9-22(10-12-23)17-6-4-16(19)5-7-17;/h4-7,15H,3,8-14H2,1-2H3,(H2,20,21);1H.
What are the key properties of 4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide?
4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 464.37 g/mol, XLogP of 2.94, 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'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111035685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).