3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine

C11H13F3N2 — CID 176898727

IUPAC3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine
SMILESFC(F)(F)[C@H]1CCN[C@@H](c2cccnc2)C1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)9-3-5-16-10(6-9)8-2-1-4-15-7-8/h1-2,4,7,9-10,16H,3,5-6H2/t9-,10+/m0/s1
InChIKeyMHBCAWJYIVIALW-VHSXEESVSA-N
MW230.23 g/mol
LogP2.68
Rot. Bonds1

About 3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine

3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine (PubChem CID 176898727) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine
PubChem CID176898727
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine
SMILESFC(F)(F)[C@H]1CCN[C@@H](c2cccnc2)C1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)9-3-5-16-10(6-9)8-2-1-4-15-7-8/h1-2,4,7,9-10,16H,3,5-6H2/t9-,10+/m0/s1
InChIKeyMHBCAWJYIVIALW-VHSXEESVSA-N
XLogP2.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4-(trifluoromethyl)piperidine
CID 66330695
1-(3-fluorophenyl)-1-(2-pyridin-3-ylpiperidin-4-yl)ethanol
CID 174531354
3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine
CID 145285268
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
3-(1,3-dioxol-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine
CID 176898762
2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
CID 107331187
2-pyridin-3-ylpiperazine
CID 3872289
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)piperidine
CID 66328132
3-piperidin-4-ylpyridine;dihydrochloride
CID 21192973
(3S)-3-pyridin-3-ylthiomorpholine
CID 26369463
3-pyridin-3-ylthiomorpholine
CID 3873279
oxalic acid;3-pyrrolidin-2-ylpyridine
CID 45156454

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine?
The IUPAC name of 3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine (CID 176898727) is 3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine is FC(F)(F)[C@H]1CCN[C@@H](c2cccnc2)C1.
What is the InChIKey of 3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine?
The InChIKey is MHBCAWJYIVIALW-VHSXEESVSA-N. The full InChI is InChI=1S/C11H13F3N2/c12-11(13,14)9-3-5-16-10(6-9)8-2-1-4-15-7-8/h1-2,4,7,9-10,16H,3,5-6H2/t9-,10+/m0/s1.
What are the key properties of 3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine?
3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine has a molecular weight of 230.23 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine is sourced from PubChem (CID 176898727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).