(2S,3S)-3-fluoro-2-phenylpiperidine

C11H14FN — CID 167716919

IUPAC(2S,3S)-3-fluoro-2-phenylpiperidine
SMILESF[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C11H14FN/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8H2/t10-,11-/m0/s1
InChIKeyOPBCXGXWTKRWQT-QWRGUYRKSA-N
MW179.24 g/mol
LogP2.45
Rot. Bonds1

About (2S,3S)-3-fluoro-2-phenylpiperidine

(2S,3S)-3-fluoro-2-phenylpiperidine (PubChem CID 167716919) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (2S,3S)-3-fluoro-2-phenylpiperidine.

Molecular Properties

Compound Name(2S,3S)-3-fluoro-2-phenylpiperidine
PubChem CID167716919
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(2S,3S)-3-fluoro-2-phenylpiperidine
SMILESF[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C11H14FN/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8H2/t10-,11-/m0/s1
InChIKeyOPBCXGXWTKRWQT-QWRGUYRKSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-fluoro-2-phenylpiperidine?
The IUPAC name of (2S,3S)-3-fluoro-2-phenylpiperidine (CID 167716919) is (2S,3S)-3-fluoro-2-phenylpiperidine.
What is the SMILES notation for (2S,3S)-3-fluoro-2-phenylpiperidine?
The canonical SMILES for (2S,3S)-3-fluoro-2-phenylpiperidine is F[C@H]1CCCN[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-3-fluoro-2-phenylpiperidine?
The InChIKey is OPBCXGXWTKRWQT-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H14FN/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8H2/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-3-fluoro-2-phenylpiperidine?
(2S,3S)-3-fluoro-2-phenylpiperidine has a molecular weight of 179.24 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-fluoro-2-phenylpiperidine is sourced from PubChem (CID 167716919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).