1-[3-(difluoromethoxy)-4-nitrophenyl]-2-(1H-imidazol-2-yl)piperidine

C15H16F2N4O3 — CID 133429001

IUPAC1-[3-(difluoromethoxy)-4-nitrophenyl]-2-(1H-imidazol-2-yl)piperidine
SMILESO=[N+]([O-])c1ccc(N2CCCCC2c2ncc[nH]2)cc1OC(F)F
InChIInChI=1S/C15H16F2N4O3/c16-15(17)24-13-9-10(4-5-11(13)21(22)23)20-8-2-1-3-12(20)14-18-6-7-19-14/h4-7,9,12,15H,1-3,8H2,(H,18,19)
InChIKeyGWZREIBKKRYCCG-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.65
Rot. Bonds5

About 1-[3-(difluoromethoxy)-4-nitrophenyl]-2-(1H-imidazol-2-yl)piperidine

1-[3-(difluoromethoxy)-4-nitrophenyl]-2-(1H-imidazol-2-yl)piperidine (PubChem CID 133429001) has the molecular formula C15H16F2N4O3 and a molecular weight of 338.31 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-4-nitrophenyl]-2-(1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-4-nitrophenyl]-2-(1H-imidazol-2-yl)piperidine
PubChem CID133429001
Molecular FormulaC15H16F2N4O3
Molecular Weight338.31 g/mol
Exact Mass338.12
IUPAC Name1-[3-(difluoromethoxy)-4-nitrophenyl]-2-(1H-imidazol-2-yl)piperidine
SMILESO=[N+]([O-])c1ccc(N2CCCCC2c2ncc[nH]2)cc1OC(F)F
InChIInChI=1S/C15H16F2N4O3/c16-15(17)24-13-9-10(4-5-11(13)21(22)23)20-8-2-1-3-12(20)14-18-6-7-19-14/h4-7,9,12,15H,1-3,8H2,(H,18,19)
InChIKeyGWZREIBKKRYCCG-UHFFFAOYSA-N
XLogP3.65
TPSA84.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(difluoromethoxy)-4-nitrophenyl]-2-phenylpyrrolidine
CID 133333712
1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 71968465
1-[3-(difluoromethoxy)-4-nitrophenyl]piperidine-4-carboxylic acid
CID 120963896
1-[3-(difluoromethoxy)-4-nitrophenyl]piperidin-4-one
CID 164568517
2-(1H-imidazol-2-yl)-N-(3-methyl-4-nitrophenyl)piperidine-1-carboxamide
CID 86796873
4-[4-[3-(difluoromethoxy)-4-nitrophenyl]piperazin-1-yl]-2-methylpyrimidine
CID 133458709
1-[3-(difluoromethoxy)-4-nitrophenyl]-4-(2-methylpyrrolidin-1-yl)piperidine
CID 133396091
1-[3-(difluoromethoxy)-4-nitrophenyl]-4-(2,4-difluorophenoxy)piperidine
CID 133318475
2-[3-(difluoromethoxy)-4-nitrophenyl]-1,3,3a,4,7,7a-hexahydroisoindole
CID 133322988
[1-(3-ethoxy-4-nitrophenyl)azepan-2-yl]methanol
CID 116636995
trans-(1S,2S)-2-[3-(difluoromethoxy)-4-nitroanilino]cyclohexan-1-ol
CID 133495377
1-(3-methoxy-4-nitrophenyl)piperidine-2-carboxylic acid
CID 63670390

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-4-nitrophenyl]-2-(1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-[3-(difluoromethoxy)-4-nitrophenyl]-2-(1H-imidazol-2-yl)piperidine (CID 133429001) is 1-[3-(difluoromethoxy)-4-nitrophenyl]-2-(1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-[3-(difluoromethoxy)-4-nitrophenyl]-2-(1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-[3-(difluoromethoxy)-4-nitrophenyl]-2-(1H-imidazol-2-yl)piperidine is O=[N+]([O-])c1ccc(N2CCCCC2c2ncc[nH]2)cc1OC(F)F.
What is the InChIKey of 1-[3-(difluoromethoxy)-4-nitrophenyl]-2-(1H-imidazol-2-yl)piperidine?
The InChIKey is GWZREIBKKRYCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O3/c16-15(17)24-13-9-10(4-5-11(13)21(22)23)20-8-2-1-3-12(20)14-18-6-7-19-14/h4-7,9,12,15H,1-3,8H2,(H,18,19).
What are the key properties of 1-[3-(difluoromethoxy)-4-nitrophenyl]-2-(1H-imidazol-2-yl)piperidine?
1-[3-(difluoromethoxy)-4-nitrophenyl]-2-(1H-imidazol-2-yl)piperidine has a molecular weight of 338.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-4-nitrophenyl]-2-(1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 133429001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).