4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide

C16H21F2N3 — CID 109414843

IUPAC4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC(F)F)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C16H21F2N3/c1-19-16(20-12-15(17)18)21-9-7-14(8-10-21)11-13-5-3-2-4-6-13/h2-6,11,15H,7-10,12H2,1H3,(H,19,20)
InChIKeyJZPAWCNQCHBLTB-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.01
Rot. Bonds3

About 4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide

4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide (PubChem CID 109414843) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide
PubChem CID109414843
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC(F)F)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C16H21F2N3/c1-19-16(20-12-15(17)18)21-9-7-14(8-10-21)11-13-5-3-2-4-6-13/h2-6,11,15H,7-10,12H2,1H3,(H,19,20)
InChIKeyJZPAWCNQCHBLTB-UHFFFAOYSA-N
XLogP3.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.01
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

4-benzylidene-N'-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 109415055
2-[[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide
CID 109415058
4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414255
N-[2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 109414731
4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415037
4-benzylidene-N-(2-ethoxyethyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415315
4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide
CID 109414417
4-benzylidene-N-(furan-2-ylmethyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109414514
3-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109414472
4-benzylidene-N-[(3-fluoro-4-hydroxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide
CID 109414828
2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propylacetamide;hydroiodide
CID 109414496
4-benzylidene-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415041

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide (CID 109414843) is 4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide is C/N=C(\NCC(F)F)N1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide?
The InChIKey is JZPAWCNQCHBLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-19-16(20-12-15(17)18)21-9-7-14(8-10-21)11-13-5-3-2-4-6-13/h2-6,11,15H,7-10,12H2,1H3,(H,19,20).
What are the key properties of 4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide?
4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide has a molecular weight of 293.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 109414843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).