(2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine

C12H14F3N — CID 95374690

IUPAC(2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)[C@H]1CCCN[C@@H]1c1ccccc1
InChIInChI=1S/C12H14F3N/c13-12(14,15)10-7-4-8-16-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11,16H,4,7-8H2/t10-,11+/m0/s1
InChIKeyPEHNCKYQVJGIEF-WDEREUQCSA-N
MW229.25 g/mol
LogP3.29
Rot. Bonds1

About (2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine

(2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine (PubChem CID 95374690) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is (2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine
PubChem CID95374690
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name(2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)[C@H]1CCCN[C@@H]1c1ccccc1
InChIInChI=1S/C12H14F3N/c13-12(14,15)10-7-4-8-16-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11,16H,4,7-8H2/t10-,11+/m0/s1
InChIKeyPEHNCKYQVJGIEF-WDEREUQCSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-3-fluoro-2-phenylpiperidine
CID 167716919
2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine
CID 106778899
(2S,3S)-3-fluoro-2-phenylpiperidine;hydrochloride
CID 167716918
2-phenylpiperidin-3-ol
CID 18782643
2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine
CID 106781579
[(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,3R)-3-phenoxy-2-phenylpiperidine
CID 97356138
2-phenylpiperidine-3-carbaldehyde
CID 174613861
(2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine
CID 134970046
2,3-diphenylpiperazine;hydrochloride
CID 175072756

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine?
The IUPAC name of (2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine (CID 95374690) is (2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for (2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for (2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine is FC(F)(F)[C@H]1CCCN[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine?
The InChIKey is PEHNCKYQVJGIEF-WDEREUQCSA-N. The full InChI is InChI=1S/C12H14F3N/c13-12(14,15)10-7-4-8-16-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11,16H,4,7-8H2/t10-,11+/m0/s1.
What are the key properties of (2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine?
(2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine has a molecular weight of 229.25 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 95374690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).