N'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride

C13H18ClF2N5 — CID 141426650

IUPACN'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
SMILESCl.N/C(=N/C(N)=N/c1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C13H17F2N5.ClH/c14-9-4-5-11(10(15)8-9)18-12(16)19-13(17)20-6-2-1-3-7-20;/h4-5,8H,1-3,6-7H2,(H4,16,17,18,19);1H
InChIKeyNGYCHKSWFFHLRR-UHFFFAOYSA-N
MW317.77 g/mol
LogP2.13
Rot. Bonds1

About N'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride

N'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride (PubChem CID 141426650) has the molecular formula C13H18ClF2N5 and a molecular weight of 317.77 g/mol. Its IUPAC name is N'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
PubChem CID141426650
Molecular FormulaC13H18ClF2N5
Molecular Weight317.77 g/mol
Exact Mass317.12
IUPAC NameN'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
SMILESCl.N/C(=N/C(N)=N/c1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C13H17F2N5.ClH/c14-9-4-5-11(10(15)8-9)18-12(16)19-13(17)20-6-2-1-3-7-20;/h4-5,8H,1-3,6-7H2,(H4,16,17,18,19);1H
InChIKeyNGYCHKSWFFHLRR-UHFFFAOYSA-N
XLogP2.13
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 52.13
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-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426730
N'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide
CID 19599263
N'-[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]azepane-1-carboximidamide;hydrochloride
CID 162311545
N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 172705203
N'-[N'-(3,5-dimethoxyphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 162326479
N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426691
N'-[N'-[4-fluoro-3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
CID 90246374
N'-[N'-(4-aminophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154058076
N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 172828470
N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 156631545
N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 172853409
4-[[amino-[(Z)-[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]benzenesulfonic acid;hydrochloride
CID 156631539

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride (CID 141426650) is N'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride is Cl.N/C(=N/C(N)=N/c1ccc(F)cc1F)N1CCCCC1.
What is the InChIKey of N'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The InChIKey is NGYCHKSWFFHLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5.ClH/c14-9-4-5-11(10(15)8-9)18-12(16)19-13(17)20-6-2-1-3-7-20;/h4-5,8H,1-3,6-7H2,(H4,16,17,18,19);1H.
What are the key properties of N'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
N'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride has a molecular weight of 317.77 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 141426650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).