4-[(5-fluoro-2-methylphenyl)methylidene]piperidine

C13H16FN — CID 105376226

IUPAC4-[(5-fluoro-2-methylphenyl)methylidene]piperidine
SMILESCc1ccc(F)cc1C=C1CCNCC1
InChIInChI=1S/C13H16FN/c1-10-2-3-13(14)9-12(10)8-11-4-6-15-7-5-11/h2-3,8-9,15H,4-7H2,1H3
InChIKeyUVEJUTJBNCRYCO-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.90
Rot. Bonds1

About 4-[(5-fluoro-2-methylphenyl)methylidene]piperidine

4-[(5-fluoro-2-methylphenyl)methylidene]piperidine (PubChem CID 105376226) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methylphenyl)methylidene]piperidine.

Molecular Properties

Compound Name4-[(5-fluoro-2-methylphenyl)methylidene]piperidine
PubChem CID105376226
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name4-[(5-fluoro-2-methylphenyl)methylidene]piperidine
SMILESCc1ccc(F)cc1C=C1CCNCC1
InChIInChI=1S/C13H16FN/c1-10-2-3-13(14)9-12(10)8-11-4-6-15-7-5-11/h2-3,8-9,15H,4-7H2,1H3
InChIKeyUVEJUTJBNCRYCO-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methylphenyl)methylidene]piperidine?
The IUPAC name of 4-[(5-fluoro-2-methylphenyl)methylidene]piperidine (CID 105376226) is 4-[(5-fluoro-2-methylphenyl)methylidene]piperidine.
What is the SMILES notation for 4-[(5-fluoro-2-methylphenyl)methylidene]piperidine?
The canonical SMILES for 4-[(5-fluoro-2-methylphenyl)methylidene]piperidine is Cc1ccc(F)cc1C=C1CCNCC1.
What is the InChIKey of 4-[(5-fluoro-2-methylphenyl)methylidene]piperidine?
The InChIKey is UVEJUTJBNCRYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-10-2-3-13(14)9-12(10)8-11-4-6-15-7-5-11/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 4-[(5-fluoro-2-methylphenyl)methylidene]piperidine?
4-[(5-fluoro-2-methylphenyl)methylidene]piperidine has a molecular weight of 205.28 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methylphenyl)methylidene]piperidine is sourced from PubChem (CID 105376226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).