N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide

C17H29F2N5 — CID 109490516

IUPACN'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/Cc2nccn2C(F)F)NCC)C1
InChIInChI=1S/C17H29F2N5/c1-4-7-17(3)8-6-10-23(13-17)16(20-5-2)22-12-14-21-9-11-24(14)15(18)19/h9,11,15H,4-8,10,12-13H2,1-3H3,(H,20,22)
InChIKeyKHINPIXLYXPICX-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.65
Rot. Bonds6

About N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide

N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide (PubChem CID 109490516) has the molecular formula C17H29F2N5 and a molecular weight of 341.45 g/mol. Its IUPAC name is N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
PubChem CID109490516
Molecular FormulaC17H29F2N5
Molecular Weight341.45 g/mol
Exact Mass341.24
IUPAC NameN'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/Cc2nccn2C(F)F)NCC)C1
InChIInChI=1S/C17H29F2N5/c1-4-7-17(3)8-6-10-23(13-17)16(20-5-2)22-12-14-21-9-11-24(14)15(18)19/h9,11,15H,4-8,10,12-13H2,1-3H3,(H,20,22)
InChIKeyKHINPIXLYXPICX-UHFFFAOYSA-N
XLogP3.65
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-(2-Methyl-1H-imidazol-1-yl)ethyl)piperidine
CID 6484685
4-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 63554068
3-[(2-Methyl-1H-imidazol-1-YL)methyl]piperidine
CID 18712969
4-((2-Methyl-1H-imidazol-1-yl)methyl)piperidine dihydrochloride
CID 45595304
3-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 63975807
9-[4-[2-(2-Methylimidazol-1-yl)ethyl]piperidin-1-yl]-3-azaspiro[5.5]undecane
CID 56706879
N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine
CID 56788085
4-((2-Methyl-1H-imidazol-1-yl)methyl)piperidine
CID 25794905
3-(1-methyl-1H-imidazol-2-yl)piperidine
CID 75485612
4-[2-(1H-imidazol-1-yl)ethyl]piperidine
CID 13281183
N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 129340757
5,5,6,6-Tetrafluoro-7,7,8,8-tetramethylimidazo[1,2-a]pyridine
CID 134968189

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide (CID 109490516) is N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/Cc2nccn2C(F)F)NCC)C1.
What is the InChIKey of N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide?
The InChIKey is KHINPIXLYXPICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F2N5/c1-4-7-17(3)8-6-10-23(13-17)16(20-5-2)22-12-14-21-9-11-24(14)15(18)19/h9,11,15H,4-8,10,12-13H2,1-3H3,(H,20,22).
What are the key properties of N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide?
N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide has a molecular weight of 341.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 109490516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).