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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Related Compounds

3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine
CID 112564824
3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564764
3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine
CID 105411746
2-(2-fluoro-2-piperidin-3-ylpropyl)pyridine
CID 112564766
(2R)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842824
1,2-diphenyl-1-piperidin-3-ylethanol
CID 24842706
3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine
CID 112564880
2-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853698
2-fluoro-2-piperidin-3-ylpropan-1-amine
CID 105431462
3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine
CID 102622006
2-methyl-1-phenyl-3-piperidin-3-ylpropan-2-ol
CID 105493526
3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine
CID 113471739

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).