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

C16H27F2N5 — CID 109490111

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCc2nccn2C(F)F)C1
InChIInChI=1S/C16H27F2N5/c1-4-6-16(2)7-5-9-22(12-16)15(19-3)21-11-13-20-8-10-23(13)14(17)18/h8,10,14H,4-7,9,11-12H2,1-3H3,(H,19,21)
InChIKeyWFAUXHMDNMRZBP-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.26
Rot. Bonds5

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide (PubChem CID 109490111) has the molecular formula C16H27F2N5 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
PubChem CID109490111
Molecular FormulaC16H27F2N5
Molecular Weight327.42 g/mol
Exact Mass327.22
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCc2nccn2C(F)F)C1
InChIInChI=1S/C16H27F2N5/c1-4-6-16(2)7-5-9-22(12-16)15(19-3)21-11-13-20-8-10-23(13)14(17)18/h8,10,14H,4-7,9,11-12H2,1-3H3,(H,19,21)
InChIKeyWFAUXHMDNMRZBP-UHFFFAOYSA-N
XLogP3.26
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.26
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
N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine
CID 56788085
6,6-Difluoro-9-[(1-methylimidazol-2-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 118743273
4-((2-Methyl-1H-imidazol-1-yl)methyl)piperidine
CID 25794905
5,5,6,6-Tetrafluoro-7,7,8,8-tetramethylimidazo[1,2-a]pyridine
CID 134968189
N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-methylpiperidine-1-carboxamide
CID 53595552
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 75405379
4-[2-(2-Methylimidazol-1-yl)ethyl]piperidine;dihydrochloride
CID 75485569

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide (CID 109490111) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/C)NCc2nccn2C(F)F)C1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The InChIKey is WFAUXHMDNMRZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2N5/c1-4-6-16(2)7-5-9-22(12-16)15(19-3)21-11-13-20-8-10-23(13)14(17)18/h8,10,14H,4-7,9,11-12H2,1-3H3,(H,19,21).
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide has a molecular weight of 327.42 g/mol, XLogP of 3.26, 5 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',3-dimethyl-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 109490111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).