(3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine

C12H14F3N — CID 97303974

IUPAC(3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)[C@H]1CNCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H14F3N/c13-12(14,15)11-8-16-7-6-10(11)9-4-2-1-3-5-9/h1-5,10-11,16H,6-8H2/t10-,11+/m1/s1
InChIKeyMQKOMICFLCPUPI-MNOVXSKESA-N
MW229.25 g/mol
LogP2.94
Rot. Bonds1

About (3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine

(3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine (PubChem CID 97303974) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is (3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine
PubChem CID97303974
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name(3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)[C@H]1CNCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H14F3N/c13-12(14,15)11-8-16-7-6-10(11)9-4-2-1-3-5-9/h1-5,10-11,16H,6-8H2/t10-,11+/m1/s1
InChIKeyMQKOMICFLCPUPI-MNOVXSKESA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3R,4S)-3-(trifluoromethyl)piperidin-4-yl]benzoic acid
CID 58617146
(3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 14181100
(3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 56605871
(4R)-3-methyl-4-phenylpiperidine
CID 142163683
(3R,4R)-4-methyl-3-phenylpiperidine
CID 129371451
3-ethyl-4-phenylpiperidine
CID 56828112
4-(3-methylphenyl)-3-phenylpiperidine
CID 79312119
(3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine
CID 131844495
(3R,4S)-N-methyl-3-phenylpiperidin-4-amine
CID 91006555
4-ethyl-3-phenylpiperidine
CID 175022073
4-(trifluoromethyl)piperidin-3-ol
CID 82597852
5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane
CID 79311438

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine?
The IUPAC name of (3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine (CID 97303974) is (3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for (3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for (3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine is FC(F)(F)[C@H]1CNCC[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine?
The InChIKey is MQKOMICFLCPUPI-MNOVXSKESA-N. The full InChI is InChI=1S/C12H14F3N/c13-12(14,15)11-8-16-7-6-10(11)9-4-2-1-3-5-9/h1-5,10-11,16H,6-8H2/t10-,11+/m1/s1.
What are the key properties of (3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine?
(3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine has a molecular weight of 229.25 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 97303974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).