(3S,4R)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol

C16H17F3N2O2 — CID 56906780

IUPAC(3S,4R)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol
SMILESOC[C@H]1CCN(c2ccnc3c(C(F)(F)F)cccc23)C[C@H]1O
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)12-3-1-2-11-13(4-6-20-15(11)12)21-7-5-10(9-22)14(23)8-21/h1-4,6,10,14,22-23H,5,7-9H2/t10-,14-/m1/s1
InChIKeyOXEOOWJZJNTTGU-QMTHXVAHSA-N
MW326.32 g/mol
LogP2.43
Rot. Bonds2

About (3S,4R)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol

(3S,4R)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol (PubChem CID 56906780) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is (3S,4R)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol
PubChem CID56906780
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name(3S,4R)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol
SMILESOC[C@H]1CCN(c2ccnc3c(C(F)(F)F)cccc23)C[C@H]1O
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)12-3-1-2-11-13(4-6-20-15(11)12)21-7-5-10(9-22)14(23)8-21/h1-4,6,10,14,22-23H,5,7-9H2/t10-,14-/m1/s1
InChIKeyOXEOOWJZJNTTGU-QMTHXVAHSA-N
XLogP2.43
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol?
The IUPAC name of (3S,4R)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol (CID 56906780) is (3S,4R)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol?
The canonical SMILES for (3S,4R)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol is OC[C@H]1CCN(c2ccnc3c(C(F)(F)F)cccc23)C[C@H]1O.
What is the InChIKey of (3S,4R)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol?
The InChIKey is OXEOOWJZJNTTGU-QMTHXVAHSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c17-16(18,19)12-3-1-2-11-13(4-6-20-15(11)12)21-7-5-10(9-22)14(23)8-21/h1-4,6,10,14,22-23H,5,7-9H2/t10-,14-/m1/s1.
What are the key properties of (3S,4R)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol?
(3S,4R)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol has a molecular weight of 326.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol is sourced from PubChem (CID 56906780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).