1-phenyl-2-(trifluoromethyl)piperidine

C12H14F3N — CID 144718854

IUPAC1-phenyl-2-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCCN1c1ccccc1
InChIInChI=1S/C12H14F3N/c13-12(14,15)11-8-4-5-9-16(11)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
InChIKeyTXMNLAGZJGBTAB-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.61
Rot. Bonds1

About 1-phenyl-2-(trifluoromethyl)piperidine

1-phenyl-2-(trifluoromethyl)piperidine (PubChem CID 144718854) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-phenyl-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-phenyl-2-(trifluoromethyl)piperidine
PubChem CID144718854
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name1-phenyl-2-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCCN1c1ccccc1
InChIInChI=1S/C12H14F3N/c13-12(14,15)11-8-4-5-9-16(11)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
InChIKeyTXMNLAGZJGBTAB-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-2-(trifluoromethyl)pyrrolidine
CID 46193758
2-cyclohexyl-1-phenylpiperidine
CID 11736671
4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine
CID 102133636
(2S)-1-naphthalen-1-yl-2-(trifluoromethyl)pyrrolidine
CID 86337138
1-[(4aR,9aR)-1-phenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]-2,2,2-trifluoroethanone
CID 178143484
(2S)-1-phenylpiperidine-2-carbaldehyde
CID 86336366
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
4-[4-[2-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-dihydroindazol-3-one
CID 171615126
4,4-difluoro-1-(1-phenylpiperidin-2-yl)piperidine
CID 141117793
diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol
CID 165347320
1-phenyl-N-(1-phenylpyrrolidin-2-yl)pyrrolidin-2-amine
CID 175548020
9-phenyl-1,9-diazatetracyclo[12.4.0.02,7.08,13]octadeca-2,4,6-triene
CID 101227504

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(trifluoromethyl)piperidine?
The IUPAC name of 1-phenyl-2-(trifluoromethyl)piperidine (CID 144718854) is 1-phenyl-2-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-phenyl-2-(trifluoromethyl)piperidine?
The canonical SMILES for 1-phenyl-2-(trifluoromethyl)piperidine is FC(F)(F)C1CCCCN1c1ccccc1.
What is the InChIKey of 1-phenyl-2-(trifluoromethyl)piperidine?
The InChIKey is TXMNLAGZJGBTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c13-12(14,15)11-8-4-5-9-16(11)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2.
What are the key properties of 1-phenyl-2-(trifluoromethyl)piperidine?
1-phenyl-2-(trifluoromethyl)piperidine has a molecular weight of 229.25 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 144718854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).