N'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide

C15H20F3N3O — CID 111758049

IUPACN'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2c(F)cccc2OC(F)F)C1
InChIInChI=1S/C15H20F3N3O/c1-10-4-3-7-21(9-10)15(19)20-8-11-12(16)5-2-6-13(11)22-14(17)18/h2,5-6,10,14H,3-4,7-9H2,1H3,(H2,19,20)
InChIKeyHNOICZKHWVMNFX-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.97
Rot. Bonds4

About N'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide

N'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111758049) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is N'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111758049
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC NameN'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2c(F)cccc2OC(F)F)C1
InChIInChI=1S/C15H20F3N3O/c1-10-4-3-7-21(9-10)15(19)20-8-11-12(16)5-2-6-13(11)22-14(17)18/h2,5-6,10,14H,3-4,7-9H2,1H3,(H2,19,20)
InChIKeyHNOICZKHWVMNFX-UHFFFAOYSA-N
XLogP2.97
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine;hydroiodide
CID 111498125
1-cyclopropyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methylguanidine
CID 110031035
N'-[(2-hydroxy-3-methoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111099970
1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine
CID 111714269
N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045848
N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111044308
N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide
CID 111820282
N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045706
N'-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111045773
N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111816568
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111030232
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111498118

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide (CID 111758049) is N'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/Cc2c(F)cccc2OC(F)F)C1.
What is the InChIKey of N'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is HNOICZKHWVMNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-10-4-3-7-21(9-10)15(19)20-8-11-12(16)5-2-6-13(11)22-14(17)18/h2,5-6,10,14H,3-4,7-9H2,1H3,(H2,19,20).
What are the key properties of N'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide?
N'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 315.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111758049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).