N-[(3-fluorophenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide

C16H24FN3 — CID 111153144

IUPACN-[(3-fluorophenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCc1cccc(F)c1)N1CC(C)CC(C)C1
InChIInChI=1S/C16H24FN3/c1-12-7-13(2)11-20(10-12)16(18-3)19-9-14-5-4-6-15(17)8-14/h4-6,8,12-13H,7,9-11H2,1-3H3,(H,18,19)
InChIKeyABHQUINHBVEZPL-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.88
Rot. Bonds2

About N-[(3-fluorophenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide

N-[(3-fluorophenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide (PubChem CID 111153144) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide
PubChem CID111153144
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC NameN-[(3-fluorophenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCc1cccc(F)c1)N1CC(C)CC(C)C1
InChIInChI=1S/C16H24FN3/c1-12-7-13(2)11-20(10-12)16(18-3)19-9-14-5-4-6-15(17)8-14/h4-6,8,12-13H,7,9-11H2,1-3H3,(H,18,19)
InChIKeyABHQUINHBVEZPL-UHFFFAOYSA-N
XLogP2.88
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.88
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-[(3-fluorophenyl)methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723418
N-[(3-fluoro-4-methoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153784
N-[(3-fluorophenyl)methyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962144
N-[(3-fluorophenyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741787
N-[(3-fluorophenyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727014
N-[3-[[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]butanamide;hydroiodide
CID 111154040
N-[2-(dimethylamino)ethyl]-3-[[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111153414
N-[(3-fluorophenyl)methyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111746768
N-[3-[[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111153316
N-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111132617
N',3,5-trimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide
CID 111153533
N',3-dimethyl-N-[(3-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111145047

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide (CID 111153144) is N-[(3-fluorophenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide is C/N=C(\NCc1cccc(F)c1)N1CC(C)CC(C)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide?
The InChIKey is ABHQUINHBVEZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-12-7-13(2)11-20(10-12)16(18-3)19-9-14-5-4-6-15(17)8-14/h4-6,8,12-13H,7,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-[(3-fluorophenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide?
N-[(3-fluorophenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide has a molecular weight of 277.39 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111153144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).