4-[(E)-2-(4-fluoro-3-isocyanophenyl)ethenyl]piperidine

C14H15FN2 — CID 123187214

IUPAC4-[(E)-2-(4-fluoro-3-isocyanophenyl)ethenyl]piperidine
SMILES[C-]#[N+]c1cc(/C=C/C2CCNCC2)ccc1F
InChIInChI=1S/C14H15FN2/c1-16-14-10-12(4-5-13(14)15)3-2-11-6-8-17-9-7-11/h2-5,10-11,17H,6-9H2/b3-2+
InChIKeyJFTBUCRWYMVNRJ-NSCUHMNNSA-N
MW230.29 g/mol
LogP3.39
Rot. Bonds2

About 4-[(E)-2-(4-fluoro-3-isocyanophenyl)ethenyl]piperidine

4-[(E)-2-(4-fluoro-3-isocyanophenyl)ethenyl]piperidine (PubChem CID 123187214) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-[(E)-2-(4-fluoro-3-isocyanophenyl)ethenyl]piperidine.

Molecular Properties

Compound Name4-[(E)-2-(4-fluoro-3-isocyanophenyl)ethenyl]piperidine
PubChem CID123187214
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name4-[(E)-2-(4-fluoro-3-isocyanophenyl)ethenyl]piperidine
SMILES[C-]#[N+]c1cc(/C=C/C2CCNCC2)ccc1F
InChIInChI=1S/C14H15FN2/c1-16-14-10-12(4-5-13(14)15)3-2-11-6-8-17-9-7-11/h2-5,10-11,17H,6-9H2/b3-2+
InChIKeyJFTBUCRWYMVNRJ-NSCUHMNNSA-N
XLogP3.39
TPSA16.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-fluoro-3-isocyanophenyl)ethenyl]piperidine?
The IUPAC name of 4-[(E)-2-(4-fluoro-3-isocyanophenyl)ethenyl]piperidine (CID 123187214) is 4-[(E)-2-(4-fluoro-3-isocyanophenyl)ethenyl]piperidine.
What is the SMILES notation for 4-[(E)-2-(4-fluoro-3-isocyanophenyl)ethenyl]piperidine?
The canonical SMILES for 4-[(E)-2-(4-fluoro-3-isocyanophenyl)ethenyl]piperidine is [C-]#[N+]c1cc(/C=C/C2CCNCC2)ccc1F.
What is the InChIKey of 4-[(E)-2-(4-fluoro-3-isocyanophenyl)ethenyl]piperidine?
The InChIKey is JFTBUCRWYMVNRJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H15FN2/c1-16-14-10-12(4-5-13(14)15)3-2-11-6-8-17-9-7-11/h2-5,10-11,17H,6-9H2/b3-2+.
What are the key properties of 4-[(E)-2-(4-fluoro-3-isocyanophenyl)ethenyl]piperidine?
4-[(E)-2-(4-fluoro-3-isocyanophenyl)ethenyl]piperidine has a molecular weight of 230.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-fluoro-3-isocyanophenyl)ethenyl]piperidine is sourced from PubChem (CID 123187214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).