4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine

C19H20F3N — CID 124514391

IUPAC4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(C(c2ccccc2)C2CCNCC2)cc1
InChIInChI=1S/C19H20F3N/c20-19(21,22)17-8-6-15(7-9-17)18(14-4-2-1-3-5-14)16-10-12-23-13-11-16/h1-9,16,18,23H,10-13H2
InChIKeyGRNNCOMPVYRWFI-UHFFFAOYSA-N
MW319.37 g/mol
LogP4.84
Rot. Bonds3

About 4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine

4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 124514391) has the molecular formula C19H20F3N and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID124514391
Molecular FormulaC19H20F3N
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(C(c2ccccc2)C2CCNCC2)cc1
InChIInChI=1S/C19H20F3N/c20-19(21,22)17-8-6-15(7-9-17)18(14-4-2-1-3-5-14)16-10-12-23-13-11-16/h1-9,16,18,23H,10-13H2
InChIKeyGRNNCOMPVYRWFI-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine
CID 139510512
(R)-piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 171314104
[4-[phenyl(piperidin-4-yl)methyl]phenyl]methanamine
CID 174413647
piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11392289
4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112563753
4-benzhydrylpiperidine;hexan-1-ol
CID 174445924
4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine
CID 139510278
1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 3939194
4-[fluoro(phenyl)methyl]azepane
CID 84722518
phenyl(piperidin-4-yl)methanesulfonamide
CID 91511350
(3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 14181100
(3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 56605871

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine (CID 124514391) is 4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine is FC(F)(F)c1ccc(C(c2ccccc2)C2CCNCC2)cc1.
What is the InChIKey of 4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is GRNNCOMPVYRWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N/c20-19(21,22)17-8-6-15(7-9-17)18(14-4-2-1-3-5-14)16-10-12-23-13-11-16/h1-9,16,18,23H,10-13H2.
What are the key properties of 4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine?
4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 319.37 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 124514391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).