(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine

C12H14F3N — CID 164752777

IUPAC(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine
SMILESFC(F)(F)[C@H]1CC[C@H](c2ccccc2)NC1
InChIInChI=1S/C12H14F3N/c13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9/h1-5,10-11,16H,6-8H2/t10-,11+/m0/s1
InChIKeyOAHSDYQICSZHGL-WDEREUQCSA-N
MW229.25 g/mol
LogP3.29
Rot. Bonds1

About (2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine

(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine (PubChem CID 164752777) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is (2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine
PubChem CID164752777
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine
SMILESFC(F)(F)[C@H]1CC[C@H](c2ccccc2)NC1
InChIInChI=1S/C12H14F3N/c13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9/h1-5,10-11,16H,6-8H2/t10-,11+/m0/s1
InChIKeyOAHSDYQICSZHGL-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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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine?
The IUPAC name of (2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine (CID 164752777) is (2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine.
What is the SMILES notation for (2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine?
The canonical SMILES for (2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine is FC(F)(F)[C@H]1CC[C@H](c2ccccc2)NC1.
What is the InChIKey of (2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine?
The InChIKey is OAHSDYQICSZHGL-WDEREUQCSA-N. The full InChI is InChI=1S/C12H14F3N/c13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9/h1-5,10-11,16H,6-8H2/t10-,11+/m0/s1.
What are the key properties of (2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine?
(2R,5S)-2-phenyl-5-(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 (2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine is sourced from PubChem (CID 164752777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).