(2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidine

C13H15F4NO — CID 164751277

IUPAC(2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidine
SMILESC[C@@H]1CN[C@@H](c2ccc(F)cc2)CC1OC(F)(F)F
InChIInChI=1S/C13H15F4NO/c1-8-7-18-11(6-12(8)19-13(15,16)17)9-2-4-10(14)5-3-9/h2-5,8,11-12,18H,6-7H2,1H3/t8-,11-,12?/m1/s1
InChIKeyUKISMTMYWSYOJJ-LYFNNULSSA-N
MW277.26 g/mol
LogP3.40
Rot. Bonds2

About (2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidine

(2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidine (PubChem CID 164751277) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is (2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidine.

Molecular Properties

Compound Name(2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidine
PubChem CID164751277
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name(2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidine
SMILESC[C@@H]1CN[C@@H](c2ccc(F)cc2)CC1OC(F)(F)F
InChIInChI=1S/C13H15F4NO/c1-8-7-18-11(6-12(8)19-13(15,16)17)9-2-4-10(14)5-3-9/h2-5,8,11-12,18H,6-7H2,1H3/t8-,11-,12?/m1/s1
InChIKeyUKISMTMYWSYOJJ-LYFNNULSSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidine?
The IUPAC name of (2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidine (CID 164751277) is (2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidine.
What is the SMILES notation for (2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidine?
The canonical SMILES for (2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidine is C[C@@H]1CN[C@@H](c2ccc(F)cc2)CC1OC(F)(F)F.
What is the InChIKey of (2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidine?
The InChIKey is UKISMTMYWSYOJJ-LYFNNULSSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-8-7-18-11(6-12(8)19-13(15,16)17)9-2-4-10(14)5-3-9/h2-5,8,11-12,18H,6-7H2,1H3/t8-,11-,12?/m1/s1.
What are the key properties of (2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidine?
(2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidine has a molecular weight of 277.26 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidine is sourced from PubChem (CID 164751277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).