1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine

C15H17FN4O2 — CID 71968465

IUPAC1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
SMILESO=[N+]([O-])c1ccc(F)cc1CN1CCCCC1c1ncc[nH]1
InChIInChI=1S/C15H17FN4O2/c16-12-4-5-13(20(21)22)11(9-12)10-19-8-2-1-3-14(19)15-17-6-7-18-15/h4-7,9,14H,1-3,8,10H2,(H,17,18)
InChIKeyYCZRQMPLJPNMTK-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.18
Rot. Bonds4

About 1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine

1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine (PubChem CID 71968465) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
PubChem CID71968465
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
SMILESO=[N+]([O-])c1ccc(F)cc1CN1CCCCC1c1ncc[nH]1
InChIInChI=1S/C15H17FN4O2/c16-12-4-5-13(20(21)22)11(9-12)10-19-8-2-1-3-14(19)15-17-6-7-18-15/h4-7,9,14H,1-3,8,10H2,(H,17,18)
InChIKeyYCZRQMPLJPNMTK-UHFFFAOYSA-N
XLogP3.18
TPSA75.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine (CID 71968465) is 1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine is O=[N+]([O-])c1ccc(F)cc1CN1CCCCC1c1ncc[nH]1.
What is the InChIKey of 1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine?
The InChIKey is YCZRQMPLJPNMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c16-12-4-5-13(20(21)22)11(9-12)10-19-8-2-1-3-14(19)15-17-6-7-18-15/h4-7,9,14H,1-3,8,10H2,(H,17,18).
What are the key properties of 1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine?
1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine has a molecular weight of 304.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 71968465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).