(3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol

C17H19F3N2O2 — CID 155914575

IUPAC(3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol
SMILESCc1cc(N2CC[C@H](CO)[C@@H](O)C2)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C17H19F3N2O2/c1-10-6-15(22-5-4-11(9-23)16(24)8-22)13-7-12(17(18,19)20)2-3-14(13)21-10/h2-3,6-7,11,16,23-24H,4-5,8-9H2,1H3/t11-,16+/m1/s1
InChIKeyCMFJJWQPURLDOP-BZNIZROVSA-N
MW340.35 g/mol
LogP2.74
Rot. Bonds2

About (3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol

(3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol (PubChem CID 155914575) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is (3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol
PubChem CID155914575
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name(3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol
SMILESCc1cc(N2CC[C@H](CO)[C@@H](O)C2)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C17H19F3N2O2/c1-10-6-15(22-5-4-11(9-23)16(24)8-22)13-7-12(17(18,19)20)2-3-14(13)21-10/h2-3,6-7,11,16,23-24H,4-5,8-9H2,1H3/t11-,16+/m1/s1
InChIKeyCMFJJWQPURLDOP-BZNIZROVSA-N
XLogP2.74
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.74
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-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol (CID 155914575) is (3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol is Cc1cc(N2CC[C@H](CO)[C@@H](O)C2)c2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of (3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol?
The InChIKey is CMFJJWQPURLDOP-BZNIZROVSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-10-6-15(22-5-4-11(9-23)16(24)8-22)13-7-12(17(18,19)20)2-3-14(13)21-10/h2-3,6-7,11,16,23-24H,4-5,8-9H2,1H3/t11-,16+/m1/s1.
What are the key properties of (3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol?
(3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol has a molecular weight of 340.35 g/mol, XLogP of 2.74, 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-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol is sourced from PubChem (CID 155914575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).