(2R)-1-benzyl-2-[2-(trifluoromethyl)phenyl]piperidine

C19H20F3N — CID 134960586

IUPAC(2R)-1-benzyl-2-[2-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1ccccc1[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C19H20F3N/c20-19(21,22)17-11-5-4-10-16(17)18-12-6-7-13-23(18)14-15-8-2-1-3-9-15/h1-5,8-11,18H,6-7,12-14H2/t18-/m1/s1
InChIKeyRMFYJXLMGNUBDA-GOSISDBHSA-N
MW319.37 g/mol
LogP5.43
Rot. Bonds3

About (2R)-1-benzyl-2-[2-(trifluoromethyl)phenyl]piperidine

(2R)-1-benzyl-2-[2-(trifluoromethyl)phenyl]piperidine (PubChem CID 134960586) has the molecular formula C19H20F3N and a molecular weight of 319.37 g/mol. Its IUPAC name is (2R)-1-benzyl-2-[2-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name(2R)-1-benzyl-2-[2-(trifluoromethyl)phenyl]piperidine
PubChem CID134960586
Molecular FormulaC19H20F3N
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name(2R)-1-benzyl-2-[2-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1ccccc1[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C19H20F3N/c20-19(21,22)17-11-5-4-10-16(17)18-12-6-7-13-23(18)14-15-8-2-1-3-9-15/h1-5,8-11,18H,6-7,12-14H2/t18-/m1/s1
InChIKeyRMFYJXLMGNUBDA-GOSISDBHSA-N
XLogP5.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.37
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-[2-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of (2R)-1-benzyl-2-[2-(trifluoromethyl)phenyl]piperidine (CID 134960586) is (2R)-1-benzyl-2-[2-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for (2R)-1-benzyl-2-[2-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for (2R)-1-benzyl-2-[2-(trifluoromethyl)phenyl]piperidine is FC(F)(F)c1ccccc1[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-2-[2-(trifluoromethyl)phenyl]piperidine?
The InChIKey is RMFYJXLMGNUBDA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20F3N/c20-19(21,22)17-11-5-4-10-16(17)18-12-6-7-13-23(18)14-15-8-2-1-3-9-15/h1-5,8-11,18H,6-7,12-14H2/t18-/m1/s1.
What are the key properties of (2R)-1-benzyl-2-[2-(trifluoromethyl)phenyl]piperidine?
(2R)-1-benzyl-2-[2-(trifluoromethyl)phenyl]piperidine has a molecular weight of 319.37 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-[2-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 134960586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).