2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine

C14H15F3N2O2 — CID 141463107

IUPAC2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine
SMILESO=[N+]([O-])c1cccc(C(F)(F)F)c1C=CC1CCCCN1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)12-5-3-6-13(19(20)21)11(12)8-7-10-4-1-2-9-18-10/h3,5-8,10,18H,1-2,4,9H2
InChIKeyRBUOARRHPCOZIO-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.77
Rot. Bonds3

About 2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine

2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine (PubChem CID 141463107) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine.

Molecular Properties

Compound Name2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine
PubChem CID141463107
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine
SMILESO=[N+]([O-])c1cccc(C(F)(F)F)c1C=CC1CCCCN1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)12-5-3-6-13(19(20)21)11(12)8-7-10-4-1-2-9-18-10/h3,5-8,10,18H,1-2,4,9H2
InChIKeyRBUOARRHPCOZIO-UHFFFAOYSA-N
XLogP3.77
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine?
The IUPAC name of 2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine (CID 141463107) is 2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine.
What is the SMILES notation for 2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine?
The canonical SMILES for 2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine is O=[N+]([O-])c1cccc(C(F)(F)F)c1C=CC1CCCCN1.
What is the InChIKey of 2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine?
The InChIKey is RBUOARRHPCOZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)12-5-3-6-13(19(20)21)11(12)8-7-10-4-1-2-9-18-10/h3,5-8,10,18H,1-2,4,9H2.
What are the key properties of 2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine?
2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine has a molecular weight of 300.28 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine is sourced from PubChem (CID 141463107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).