(3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine

C18H18F3N — CID 14181100

IUPAC(3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1ccc([C@@H]2CCNC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C18H18F3N/c19-18(20,21)15-8-6-14(7-9-15)16-10-11-22-12-17(16)13-4-2-1-3-5-13/h1-9,16-17,22H,10-12H2/t16-,17-/m0/s1
InChIKeyIPHFBOOEJZKNNZ-IRXDYDNUSA-N
MW305.34 g/mol
LogP4.57
Rot. Bonds2

About (3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine

(3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine (PubChem CID 14181100) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is (3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name(3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
PubChem CID14181100
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC Name(3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1ccc([C@@H]2CCNC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C18H18F3N/c19-18(20,21)15-8-6-14(7-9-15)16-10-11-22-12-17(16)13-4-2-1-3-5-13/h1-9,16-17,22H,10-12H2/t16-,17-/m0/s1
InChIKeyIPHFBOOEJZKNNZ-IRXDYDNUSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 56605871
(3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 51353706
2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 62718282
(3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine
CID 97303974
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 79320434
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 71742224
4-(3-methylphenyl)-3-phenylpiperidine
CID 79312119
4-(3-chloro-4-methylphenyl)-3-phenylpiperidine
CID 106819222
(3R,4R)-3,4-diphenylazepane;ethane
CID 123989610
3,4-bis(4-chlorophenyl)piperidine
CID 79434307
(4R)-3-methyl-4-phenylpiperidine
CID 142163683

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of (3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine (CID 14181100) is (3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for (3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for (3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine is FC(F)(F)c1ccc([C@@H]2CCNC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is IPHFBOOEJZKNNZ-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H18F3N/c19-18(20,21)15-8-6-14(7-9-15)16-10-11-22-12-17(16)13-4-2-1-3-5-13/h1-9,16-17,22H,10-12H2/t16-,17-/m0/s1.
What are the key properties of (3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine?
(3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 305.34 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 14181100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).