N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride

C14H22Cl2FN5 — CID 142722417

IUPACN'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride
SMILESCC1CCCN(/C(N)=N\C(N)=N\c2ccc(F)cc2)C1.Cl.Cl
InChIInChI=1S/C14H20FN5.2ClH/c1-10-3-2-8-20(9-10)14(17)19-13(16)18-12-6-4-11(15)5-7-12;;/h4-7,10H,2-3,8-9H2,1H3,(H4,16,17,18,19);2*1H
InChIKeyXNVMBYXAMUBHDO-UHFFFAOYSA-N
MW350.27 g/mol
LogP2.66
Rot. Bonds1

About N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride

N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride (PubChem CID 142722417) has the molecular formula C14H22Cl2FN5 and a molecular weight of 350.27 g/mol. Its IUPAC name is N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride
PubChem CID142722417
Molecular FormulaC14H22Cl2FN5
Molecular Weight350.27 g/mol
Exact Mass349.12
IUPAC NameN'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride
SMILESCC1CCCN(/C(N)=N\C(N)=N\c2ccc(F)cc2)C1.Cl.Cl
InChIInChI=1S/C14H20FN5.2ClH/c1-10-3-2-8-20(9-10)14(17)19-13(16)18-12-6-4-11(15)5-7-12;;/h4-7,10H,2-3,8-9H2,1H3,(H4,16,17,18,19);2*1H
InChIKeyXNVMBYXAMUBHDO-UHFFFAOYSA-N
XLogP2.66
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 52.66
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'}

Analyze N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide
CID 78321574
3-methyl-N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
CID 123330653
N'-[N'-[3-fluoro-4-(trifluoromethyl)phenyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide
CID 78321874
N'-[N'-[3-fluoro-4-(trifluoromethyl)phenyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide
CID 142722401
N'-[N'-[4-fluoro-3-(trifluoromethyl)phenyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide
CID 123850399
4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 158782554
N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride
CID 158187066
N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]azetidine-1-carboximidamide;hydrochloride
CID 172724102
N'-[N'-(4-aminophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154058076
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111091582
N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide
CID 86779414
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111056533

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride?
The IUPAC name of N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride (CID 142722417) is N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride?
The canonical SMILES for N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride is CC1CCCN(/C(N)=N\C(N)=N\c2ccc(F)cc2)C1.Cl.Cl.
What is the InChIKey of N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride?
The InChIKey is XNVMBYXAMUBHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5.2ClH/c1-10-3-2-8-20(9-10)14(17)19-13(16)18-12-6-4-11(15)5-7-12;;/h4-7,10H,2-3,8-9H2,1H3,(H4,16,17,18,19);2*1H.
What are the key properties of N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride?
N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride has a molecular weight of 350.27 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride is sourced from PubChem (CID 142722417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).