N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide

C15H19F2N3 — CID 111815372

IUPACN'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide
SMILESN/C(=N\C1CC1c1c(F)cccc1F)N1CCCCC1
InChIInChI=1S/C15H19F2N3/c16-11-5-4-6-12(17)14(11)10-9-13(10)19-15(18)20-7-2-1-3-8-20/h4-6,10,13H,1-3,7-9H2,(H2,18,19)
InChIKeyYENZNFVNERDNPM-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.62
Rot. Bonds2

About N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide

N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide (PubChem CID 111815372) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide
PubChem CID111815372
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC NameN'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide
SMILESN/C(=N\C1CC1c1c(F)cccc1F)N1CCCCC1
InChIInChI=1S/C15H19F2N3/c16-11-5-4-6-12(17)14(11)10-9-13(10)19-15(18)20-7-2-1-3-8-20/h4-6,10,13H,1-3,7-9H2,(H2,18,19)
InChIKeyYENZNFVNERDNPM-UHFFFAOYSA-N
XLogP2.62
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
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'-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]azepane-1-carboximidamide
CID 120606046
tert-butyl 4-[N'-[2-(2,6-difluorophenyl)cyclopropyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111815337
N'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide
CID 111101079
N'-[2-(2-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide
CID 111101017
2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide
CID 119147957
2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine
CID 111815364
4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide
CID 111101089
1-tert-butyl-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111815381
N'-[2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide;hydroiodide
CID 119120458
ethyl 4-[[N'-[2-(2,6-difluorophenyl)cyclopropyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111815321
N'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide
CID 122095835
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3-methylphenyl)guanidine
CID 111815308

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide (CID 111815372) is N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide is N/C(=N\C1CC1c1c(F)cccc1F)N1CCCCC1.
What is the InChIKey of N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide?
The InChIKey is YENZNFVNERDNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c16-11-5-4-6-12(17)14(11)10-9-13(10)19-15(18)20-7-2-1-3-8-20/h4-6,10,13H,1-3,7-9H2,(H2,18,19).
What are the key properties of N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide?
N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide has a molecular weight of 279.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111815372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).