4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine

C14H20FN — CID 79705317

IUPAC4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine
SMILESCCC1CCNC(c2cc(C)cc(F)c2)C1
InChIInChI=1S/C14H20FN/c1-3-11-4-5-16-14(8-11)12-6-10(2)7-13(15)9-12/h6-7,9,11,14,16H,3-5,8H2,1-2H3
InChIKeyMVKGXIWNFLOIQX-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.58
Rot. Bonds2

About 4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine

4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine (PubChem CID 79705317) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine.

Molecular Properties

Compound Name4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine
PubChem CID79705317
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine
SMILESCCC1CCNC(c2cc(C)cc(F)c2)C1
InChIInChI=1S/C14H20FN/c1-3-11-4-5-16-14(8-11)12-6-10(2)7-13(15)9-12/h6-7,9,11,14,16H,3-5,8H2,1-2H3
InChIKeyMVKGXIWNFLOIQX-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine?
The IUPAC name of 4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine (CID 79705317) is 4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine.
What is the SMILES notation for 4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine?
The canonical SMILES for 4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine is CCC1CCNC(c2cc(C)cc(F)c2)C1.
What is the InChIKey of 4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine?
The InChIKey is MVKGXIWNFLOIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-3-11-4-5-16-14(8-11)12-6-10(2)7-13(15)9-12/h6-7,9,11,14,16H,3-5,8H2,1-2H3.
What are the key properties of 4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine?
4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine has a molecular weight of 221.32 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine is sourced from PubChem (CID 79705317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).