3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine

C16H24FN — CID 112564764

IUPAC3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine
SMILESCCc1ccc(CC(C)(F)C2CCCNC2)cc1
InChIInChI=1S/C16H24FN/c1-3-13-6-8-14(9-7-13)11-16(2,17)15-5-4-10-18-12-15/h6-9,15,18H,3-5,10-12H2,1-2H3
InChIKeyQJQOCVVXJZVHIM-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.52
Rot. Bonds4

About 3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine

3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine (PubChem CID 112564764) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine
PubChem CID112564764
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine
SMILESCCc1ccc(CC(C)(F)C2CCCNC2)cc1
InChIInChI=1S/C16H24FN/c1-3-13-6-8-14(9-7-13)11-16(2,17)15-5-4-10-18-12-15/h6-9,15,18H,3-5,10-12H2,1-2H3
InChIKeyQJQOCVVXJZVHIM-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine?
The IUPAC name of 3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine (CID 112564764) is 3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine.
What is the SMILES notation for 3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine?
The canonical SMILES for 3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine is CCc1ccc(CC(C)(F)C2CCCNC2)cc1.
What is the InChIKey of 3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine?
The InChIKey is QJQOCVVXJZVHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-3-13-6-8-14(9-7-13)11-16(2,17)15-5-4-10-18-12-15/h6-9,15,18H,3-5,10-12H2,1-2H3.
What are the key properties of 3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine?
3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine has a molecular weight of 249.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine is sourced from PubChem (CID 112564764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).