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

C14H20FN5 — CID 78321574

IUPACN'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/C(N)=N/c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN5/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)
InChIKeyWLGRGYCVIJBXRK-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.82
Rot. Bonds1

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

N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 78321574) has the molecular formula C14H20FN5 and a molecular weight of 277.35 g/mol. Its IUPAC name is N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide
PubChem CID78321574
Molecular FormulaC14H20FN5
Molecular Weight277.35 g/mol
Exact Mass277.17
IUPAC NameN'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/C(N)=N/c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN5/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)
InChIKeyWLGRGYCVIJBXRK-UHFFFAOYSA-N
XLogP1.82
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.82
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'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide;dihydrochloride
CID 142722417
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-aminophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154058076
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111091582
N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide
CID 111820282
N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide
CID 86779414
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111056533
N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154012553

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide (CID 78321574) is N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/C(N)=N/c2ccc(F)cc2)C1.
What is the InChIKey of N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is WLGRGYCVIJBXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5/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).
What are the key properties of N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide?
N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 277.35 g/mol, XLogP of 1.82, 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 is sourced from PubChem (CID 78321574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).