(3S,4S,5S)-1-propan-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol

C14H19F3N2O3 — CID 171558359

IUPAC(3S,4S,5S)-1-propan-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESCC(C)N1C[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C14H19F3N2O3/c1-8(2)19-6-9(20)13(21)10(7-19)22-12-5-3-4-11(18-12)14(15,16)17/h3-5,8-10,13,20-21H,6-7H2,1-2H3/t9-,10-,13-/m0/s1
InChIKeySOAFVRDSLBFHPY-KWBADKCTSA-N
MW320.31 g/mol
LogP1.29
Rot. Bonds3

About (3S,4S,5S)-1-propan-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol

(3S,4S,5S)-1-propan-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (PubChem CID 171558359) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is (3S,4S,5S)-1-propan-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5S)-1-propan-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
PubChem CID171558359
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Name(3S,4S,5S)-1-propan-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESCC(C)N1C[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C14H19F3N2O3/c1-8(2)19-6-9(20)13(21)10(7-19)22-12-5-3-4-11(18-12)14(15,16)17/h3-5,8-10,13,20-21H,6-7H2,1-2H3/t9-,10-,13-/m0/s1
InChIKeySOAFVRDSLBFHPY-KWBADKCTSA-N
XLogP1.29
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,4S,5S)-1-propan-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol with MolForge

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Related Compounds

2-Piperidin-3-yloxy-6-(trifluoromethyl)pyridine
CID 62348720
(6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)pyridin-2-yl)methanol
CID 104564147
(6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
CID 75536860
(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane
CID 75536864
(3S,4S)-3-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpiperidin-4-ol
CID 118740170
4-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 172433323
1,4-Dimethyl-2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperazine
CID 172434078
1-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperazine
CID 172434533
N-methyl-N-(2-((6-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)propan-1-amine
CID 139211020
N,2-dimethyl-N-(2-((6-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)propan-1-amine
CID 139211029
1-Piperidin-1-yl-3-pyridin-2-yloxypropan-2-ol
CID 91427415
[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-morpholin-4-ylmethanone
CID 75367637

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-1-propan-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The IUPAC name of (3S,4S,5S)-1-propan-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (CID 171558359) is (3S,4S,5S)-1-propan-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.
What is the SMILES notation for (3S,4S,5S)-1-propan-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The canonical SMILES for (3S,4S,5S)-1-propan-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is CC(C)N1C[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4S,5S)-1-propan-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The InChIKey is SOAFVRDSLBFHPY-KWBADKCTSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-8(2)19-6-9(20)13(21)10(7-19)22-12-5-3-4-11(18-12)14(15,16)17/h3-5,8-10,13,20-21H,6-7H2,1-2H3/t9-,10-,13-/m0/s1.
What are the key properties of (3S,4S,5S)-1-propan-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
(3S,4S,5S)-1-propan-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol has a molecular weight of 320.31 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-1-propan-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is sourced from PubChem (CID 171558359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).