(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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Related Compounds

(2S,3S)-3-fluoro-2-phenylpiperidine;hydrochloride
CID 167716918
3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride
CID 115039873
2-phenylpiperidin-3-ol
CID 18782643
(2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine
CID 95374690
[(2R,3R)-2-phenylpiperidin-3-yl]azanium
CID 59904937
(3R)-3-methyl-2-phenylpiperidine
CID 155222992
(2S,3R)-2-phenylpiperidin-3-amine
CID 56845355
(2S,3S)-3-fluoro-2-phenylazetidine
CID 118903296
(2S,3R)-3-phenoxy-2-phenylpiperidine
CID 97356138
2-phenylpiperidine-3-carbaldehyde
CID 174613861
2,3-diphenylpiperazine;hydrochloride
CID 175072756
(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429

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).