3-(2-fluoro-1-phenylpropan-2-yl)piperidine

C14H20FN — CID 83853692

IUPAC3-(2-fluoro-1-phenylpropan-2-yl)piperidine
SMILESCC(F)(Cc1ccccc1)C1CCCNC1
InChIInChI=1S/C14H20FN/c1-14(15,13-8-5-9-16-11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13,16H,5,8-11H2,1H3
InChIKeyITUNHIRBYPOXLO-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.96
Rot. Bonds3

About 3-(2-fluoro-1-phenylpropan-2-yl)piperidine

3-(2-fluoro-1-phenylpropan-2-yl)piperidine (PubChem CID 83853692) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-(2-fluoro-1-phenylpropan-2-yl)piperidine.

Molecular Properties

Compound Name3-(2-fluoro-1-phenylpropan-2-yl)piperidine
PubChem CID83853692
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name3-(2-fluoro-1-phenylpropan-2-yl)piperidine
SMILESCC(F)(Cc1ccccc1)C1CCCNC1
InChIInChI=1S/C14H20FN/c1-14(15,13-8-5-9-16-11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13,16H,5,8-11H2,1H3
InChIKeyITUNHIRBYPOXLO-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-1-phenylpropan-2-yl)piperidine?
The IUPAC name of 3-(2-fluoro-1-phenylpropan-2-yl)piperidine (CID 83853692) is 3-(2-fluoro-1-phenylpropan-2-yl)piperidine.
What is the SMILES notation for 3-(2-fluoro-1-phenylpropan-2-yl)piperidine?
The canonical SMILES for 3-(2-fluoro-1-phenylpropan-2-yl)piperidine is CC(F)(Cc1ccccc1)C1CCCNC1.
What is the InChIKey of 3-(2-fluoro-1-phenylpropan-2-yl)piperidine?
The InChIKey is ITUNHIRBYPOXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-14(15,13-8-5-9-16-11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13,16H,5,8-11H2,1H3.
What are the key properties of 3-(2-fluoro-1-phenylpropan-2-yl)piperidine?
3-(2-fluoro-1-phenylpropan-2-yl)piperidine has a molecular weight of 221.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-1-phenylpropan-2-yl)piperidine is sourced from PubChem (CID 83853692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).