2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine

C15H18F3N — CID 106781579

IUPAC2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCNC1C1CC1c1ccccc1
InChIInChI=1S/C15H18F3N/c16-15(17,18)13-7-4-8-19-14(13)12-9-11(12)10-5-2-1-3-6-10/h1-3,5-6,11-14,19H,4,7-9H2
InChIKeyQWZKIRHCXQPPJX-UHFFFAOYSA-N
MW269.31 g/mol
LogP3.72
Rot. Bonds2

About 2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine

2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine (PubChem CID 106781579) has the molecular formula C15H18F3N and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine
PubChem CID106781579
Molecular FormulaC15H18F3N
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCNC1C1CC1c1ccccc1
InChIInChI=1S/C15H18F3N/c16-15(17,18)13-7-4-8-19-14(13)12-9-11(12)10-5-2-1-3-6-10/h1-3,5-6,11-14,19H,4,7-9H2
InChIKeyQWZKIRHCXQPPJX-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine
CID 95374690
(3R,4S)-4-phenyl-3-(trifluoromethyl)piperidine
CID 97303974
2-chloro-3-phenylpiperidine
CID 89323539
2-(3,5-dimethylcyclohexyl)-3-(trifluoromethyl)piperidine
CID 106779481
(2S,3S)-3-fluoro-2-phenylpiperidine
CID 167716919
[(2R,3R)-3-phenylpiperidin-2-yl]methanamine
CID 66811554
2-phenyl-4-(trifluoromethyl)piperidine
CID 66330695
(2S,3S)-3-fluoro-2-phenylpiperidine;hydrochloride
CID 167716918
2-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)piperidine
CID 106778899
[2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine
CID 122440726
2-(3-ethylcyclohexyl)-3-(trifluoromethyl)piperidine
CID 106779703
(2S,3R)-2-methyl-3-(trifluoromethyl)piperidine
CID 95366782

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine?
The IUPAC name of 2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine (CID 106781579) is 2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine is FC(F)(F)C1CCCNC1C1CC1c1ccccc1.
What is the InChIKey of 2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine?
The InChIKey is QWZKIRHCXQPPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N/c16-15(17,18)13-7-4-8-19-14(13)12-9-11(12)10-5-2-1-3-6-10/h1-3,5-6,11-14,19H,4,7-9H2.
What are the key properties of 2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine?
2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine has a molecular weight of 269.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 106781579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).