[(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol

C13H17F3N2O2 — CID 164642673

IUPAC[(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)[C@H]1CO
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)10-3-4-12(17-6-10)18-5-1-2-9(7-19)11(18)8-20/h3-4,6,9,11,19-20H,1-2,5,7-8H2/t9-,11+/m1/s1
InChIKeyVOCFJTYSHVQTFV-KOLCDFICSA-N
MW290.28 g/mol
LogP1.67
Rot. Bonds3

About [(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol

[(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol (PubChem CID 164642673) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is [(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
PubChem CID164642673
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name[(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)[C@H]1CO
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)10-3-4-12(17-6-10)18-5-1-2-9(7-19)11(18)8-20/h3-4,6,9,11,19-20H,1-2,5,7-8H2/t9-,11+/m1/s1
InChIKeyVOCFJTYSHVQTFV-KOLCDFICSA-N
XLogP1.67
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol?
The IUPAC name of [(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol (CID 164642673) is [(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol?
The canonical SMILES for [(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol is OC[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)[C@H]1CO.
What is the InChIKey of [(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol?
The InChIKey is VOCFJTYSHVQTFV-KOLCDFICSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)10-3-4-12(17-6-10)18-5-1-2-9(7-19)11(18)8-20/h3-4,6,9,11,19-20H,1-2,5,7-8H2/t9-,11+/m1/s1.
What are the key properties of [(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol?
[(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol has a molecular weight of 290.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol is sourced from PubChem (CID 164642673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).