5-fluoro-5-methyl-2-(4-methylphenyl)piperidine

C13H18FN — CID 84722432

IUPAC5-fluoro-5-methyl-2-(4-methylphenyl)piperidine
SMILESCc1ccc(C2CCC(C)(F)CN2)cc1
InChIInChI=1S/C13H18FN/c1-10-3-5-11(6-4-10)12-7-8-13(2,14)9-15-12/h3-6,12,15H,7-9H2,1-2H3
InChIKeyKBRATVVXEBIORJ-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.15
Rot. Bonds1

About 5-fluoro-5-methyl-2-(4-methylphenyl)piperidine

5-fluoro-5-methyl-2-(4-methylphenyl)piperidine (PubChem CID 84722432) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 5-fluoro-5-methyl-2-(4-methylphenyl)piperidine.

Molecular Properties

Compound Name5-fluoro-5-methyl-2-(4-methylphenyl)piperidine
PubChem CID84722432
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name5-fluoro-5-methyl-2-(4-methylphenyl)piperidine
SMILESCc1ccc(C2CCC(C)(F)CN2)cc1
InChIInChI=1S/C13H18FN/c1-10-3-5-11(6-4-10)12-7-8-13(2,14)9-15-12/h3-6,12,15H,7-9H2,1-2H3
InChIKeyKBRATVVXEBIORJ-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-methyl-2-(4-methylphenyl)piperidine?
The IUPAC name of 5-fluoro-5-methyl-2-(4-methylphenyl)piperidine (CID 84722432) is 5-fluoro-5-methyl-2-(4-methylphenyl)piperidine.
What is the SMILES notation for 5-fluoro-5-methyl-2-(4-methylphenyl)piperidine?
The canonical SMILES for 5-fluoro-5-methyl-2-(4-methylphenyl)piperidine is Cc1ccc(C2CCC(C)(F)CN2)cc1.
What is the InChIKey of 5-fluoro-5-methyl-2-(4-methylphenyl)piperidine?
The InChIKey is KBRATVVXEBIORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10-3-5-11(6-4-10)12-7-8-13(2,14)9-15-12/h3-6,12,15H,7-9H2,1-2H3.
What are the key properties of 5-fluoro-5-methyl-2-(4-methylphenyl)piperidine?
5-fluoro-5-methyl-2-(4-methylphenyl)piperidine has a molecular weight of 207.29 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-methyl-2-(4-methylphenyl)piperidine is sourced from PubChem (CID 84722432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).