N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride

C13H19ClFN5 — CID 141426730

IUPACN'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
SMILESCl.N/C(=N/C(N)=N/c1cccc(F)c1)N1CCCCC1
InChIInChI=1S/C13H18FN5.ClH/c14-10-5-4-6-11(9-10)17-12(15)18-13(16)19-7-2-1-3-8-19;/h4-6,9H,1-3,7-8H2,(H4,15,16,17,18);1H
InChIKeyPOYUHUVIRFEYLA-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.99
Rot. Bonds1

About N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride

N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride (PubChem CID 141426730) has the molecular formula C13H19ClFN5 and a molecular weight of 299.78 g/mol. Its IUPAC name is N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
PubChem CID141426730
Molecular FormulaC13H19ClFN5
Molecular Weight299.78 g/mol
Exact Mass299.13
IUPAC NameN'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
SMILESCl.N/C(=N/C(N)=N/c1cccc(F)c1)N1CCCCC1
InChIInChI=1S/C13H18FN5.ClH/c14-10-5-4-6-11(9-10)17-12(15)18-13(16)19-7-2-1-3-8-19;/h4-6,9H,1-3,7-8H2,(H4,15,16,17,18);1H
InChIKeyPOYUHUVIRFEYLA-UHFFFAOYSA-N
XLogP1.99
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide
CID 141426673
N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 172853409
N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 156631545
N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 172828470
N'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426650
N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride
CID 172751827
N'-[N'-(3-phenoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 118055936
N-[3-[[amino-[(E)-[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide
CID 71512309
N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 172705203
N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426691
[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]methyl-triphenylphosphanium chloride
CID 158062986
N'-[N'-[4-fluoro-3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
CID 90246374

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride (CID 141426730) is N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride is Cl.N/C(=N/C(N)=N/c1cccc(F)c1)N1CCCCC1.
What is the InChIKey of N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The InChIKey is POYUHUVIRFEYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5.ClH/c14-10-5-4-6-11(9-10)17-12(15)18-13(16)19-7-2-1-3-8-19;/h4-6,9H,1-3,7-8H2,(H4,15,16,17,18);1H.
What are the key properties of N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride has a molecular weight of 299.78 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 141426730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).