(2R,4S)-1-methyl-2-phenyl-4-(trifluoromethoxy)piperidine

C13H16F3NO — CID 149125119

IUPAC(2R,4S)-1-methyl-2-phenyl-4-(trifluoromethoxy)piperidine
SMILESCN1CC[C@H](OC(F)(F)F)C[C@@H]1c1ccccc1
InChIInChI=1S/C13H16F3NO/c1-17-8-7-11(18-13(14,15)16)9-12(17)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12+/m0/s1
InChIKeyRATFTLNPEMUZCP-NWDGAFQWSA-N
MW259.27 g/mol
LogP3.36
Rot. Bonds2

About (2R,4S)-1-methyl-2-phenyl-4-(trifluoromethoxy)piperidine

(2R,4S)-1-methyl-2-phenyl-4-(trifluoromethoxy)piperidine (PubChem CID 149125119) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is (2R,4S)-1-methyl-2-phenyl-4-(trifluoromethoxy)piperidine.

Molecular Properties

Compound Name(2R,4S)-1-methyl-2-phenyl-4-(trifluoromethoxy)piperidine
PubChem CID149125119
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name(2R,4S)-1-methyl-2-phenyl-4-(trifluoromethoxy)piperidine
SMILESCN1CC[C@H](OC(F)(F)F)C[C@@H]1c1ccccc1
InChIInChI=1S/C13H16F3NO/c1-17-8-7-11(18-13(14,15)16)9-12(17)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12+/m0/s1
InChIKeyRATFTLNPEMUZCP-NWDGAFQWSA-N
XLogP3.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-methyl-2-phenyl-4-(trifluoromethoxy)piperidine?
The IUPAC name of (2R,4S)-1-methyl-2-phenyl-4-(trifluoromethoxy)piperidine (CID 149125119) is (2R,4S)-1-methyl-2-phenyl-4-(trifluoromethoxy)piperidine.
What is the SMILES notation for (2R,4S)-1-methyl-2-phenyl-4-(trifluoromethoxy)piperidine?
The canonical SMILES for (2R,4S)-1-methyl-2-phenyl-4-(trifluoromethoxy)piperidine is CN1CC[C@H](OC(F)(F)F)C[C@@H]1c1ccccc1.
What is the InChIKey of (2R,4S)-1-methyl-2-phenyl-4-(trifluoromethoxy)piperidine?
The InChIKey is RATFTLNPEMUZCP-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-17-8-7-11(18-13(14,15)16)9-12(17)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12+/m0/s1.
What are the key properties of (2R,4S)-1-methyl-2-phenyl-4-(trifluoromethoxy)piperidine?
(2R,4S)-1-methyl-2-phenyl-4-(trifluoromethoxy)piperidine has a molecular weight of 259.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-methyl-2-phenyl-4-(trifluoromethoxy)piperidine is sourced from PubChem (CID 149125119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).