(3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol

C12H15F3N2O2 — CID 155915627

IUPAC(3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
SMILESOC[C@H]1CCN(c2cc(C(F)(F)F)ccn2)C[C@@H]1O
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)9-1-3-16-11(5-9)17-4-2-8(7-18)10(19)6-17/h1,3,5,8,10,18-19H,2,4,6-7H2/t8-,10+/m1/s1
InChIKeyUIIWLSMXBULEDT-SCZZXKLOSA-N
MW276.26 g/mol
LogP1.28
Rot. Bonds2

About (3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol

(3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol (PubChem CID 155915627) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is (3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
PubChem CID155915627
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name(3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
SMILESOC[C@H]1CCN(c2cc(C(F)(F)F)ccn2)C[C@@H]1O
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)9-1-3-16-11(5-9)17-4-2-8(7-18)10(19)6-17/h1,3,5,8,10,18-19H,2,4,6-7H2/t8-,10+/m1/s1
InChIKeyUIIWLSMXBULEDT-SCZZXKLOSA-N
XLogP1.28
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol (CID 155915627) is (3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol is OC[C@H]1CCN(c2cc(C(F)(F)F)ccn2)C[C@@H]1O.
What is the InChIKey of (3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol?
The InChIKey is UIIWLSMXBULEDT-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)9-1-3-16-11(5-9)17-4-2-8(7-18)10(19)6-17/h1,3,5,8,10,18-19H,2,4,6-7H2/t8-,10+/m1/s1.
What are the key properties of (3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol?
(3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol has a molecular weight of 276.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 155915627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).