2-(3-fluoro-4-methylphenyl)-4-methylpiperidine

C13H18FN — CID 115502554

IUPAC2-(3-fluoro-4-methylphenyl)-4-methylpiperidine
SMILESCc1ccc(C2CC(C)CCN2)cc1F
InChIInChI=1S/C13H18FN/c1-9-5-6-15-13(7-9)11-4-3-10(2)12(14)8-11/h3-4,8-9,13,15H,5-7H2,1-2H3
InChIKeySJJSSEHGTXFZEQ-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.19
Rot. Bonds1

About 2-(3-fluoro-4-methylphenyl)-4-methylpiperidine

2-(3-fluoro-4-methylphenyl)-4-methylpiperidine (PubChem CID 115502554) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-4-methylpiperidine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-4-methylpiperidine
PubChem CID115502554
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name2-(3-fluoro-4-methylphenyl)-4-methylpiperidine
SMILESCc1ccc(C2CC(C)CCN2)cc1F
InChIInChI=1S/C13H18FN/c1-9-5-6-15-13(7-9)11-4-3-10(2)12(14)8-11/h3-4,8-9,13,15H,5-7H2,1-2H3
InChIKeySJJSSEHGTXFZEQ-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-4-methylpiperidine?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-4-methylpiperidine (CID 115502554) is 2-(3-fluoro-4-methylphenyl)-4-methylpiperidine.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-4-methylpiperidine?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-4-methylpiperidine is Cc1ccc(C2CC(C)CCN2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-4-methylpiperidine?
The InChIKey is SJJSSEHGTXFZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9-5-6-15-13(7-9)11-4-3-10(2)12(14)8-11/h3-4,8-9,13,15H,5-7H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-4-methylpiperidine?
2-(3-fluoro-4-methylphenyl)-4-methylpiperidine has a molecular weight of 207.29 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-4-methylpiperidine is sourced from PubChem (CID 115502554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).