(3S,4R,5S)-1-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol

C16H17F3N4O2 — CID 171556659

IUPAC(3S,4R,5S)-1-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Nc2cncc(C(F)(F)F)n2)CN(c2ccccc2)C[C@@H]1O
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)13-6-20-7-14(22-13)21-11-8-23(9-12(24)15(11)25)10-4-2-1-3-5-10/h1-7,11-12,15,24-25H,8-9H2,(H,21,22)/t11-,12-,15+/m0/s1
InChIKeyVQDQQDHBRCBPSS-SLEUVZQESA-N
MW354.33 g/mol
LogP1.52
Rot. Bonds3

About (3S,4R,5S)-1-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol

(3S,4R,5S)-1-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol (PubChem CID 171556659) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is (3S,4R,5S)-1-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R,5S)-1-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
PubChem CID171556659
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name(3S,4R,5S)-1-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Nc2cncc(C(F)(F)F)n2)CN(c2ccccc2)C[C@@H]1O
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)13-6-20-7-14(22-13)21-11-8-23(9-12(24)15(11)25)10-4-2-1-3-5-10/h1-7,11-12,15,24-25H,8-9H2,(H,21,22)/t11-,12-,15+/m0/s1
InChIKeyVQDQQDHBRCBPSS-SLEUVZQESA-N
XLogP1.52
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S,4R,5S)-1-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol with MolForge

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Related Compounds

5-[[4-[3-(2,3-Dihydroxypropylamino)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 152165038
1-Benzyl-5-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]pyrrolidin-3-ol
CID 91648261
[(2R)-1-[2-(quinoxalin-2-ylamino)ethyl]piperidin-2-yl]methanol
CID 171359818
4-(4-fluoro-phenyl)-6'-(2-hydroxy-ethylamino)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl-3'-carbonitrile
CID 18753202
2-[4-[[5-Methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 58118030
N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazin-2-amine
CID 68327730
1-[3-amino-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1-[(2R)-2-hydroxycyclobutyl]-3-pyrazin-2-ylurea
CID 132192826
2-[4-[[5-Amino-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 143820600
[1-[3-Fluoro-4-[methanimidoyl-[2-(pyridin-2-ylamino)ethyl]amino]anilino]-3-hydroxypropan-2-yl] nitrite
CID 144437978
(3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol
CID 164916987
(2R,3R,4R,5S)-2-(anilinomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221552
(2R,3R,4R,5S)-2-[(N,3-dimethylanilino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221832

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-1-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol?
The IUPAC name of (3S,4R,5S)-1-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol (CID 171556659) is (3S,4R,5S)-1-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol.
What is the SMILES notation for (3S,4R,5S)-1-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol?
The canonical SMILES for (3S,4R,5S)-1-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol is O[C@@H]1[C@@H](Nc2cncc(C(F)(F)F)n2)CN(c2ccccc2)C[C@@H]1O.
What is the InChIKey of (3S,4R,5S)-1-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol?
The InChIKey is VQDQQDHBRCBPSS-SLEUVZQESA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)13-6-20-7-14(22-13)21-11-8-23(9-12(24)15(11)25)10-4-2-1-3-5-10/h1-7,11-12,15,24-25H,8-9H2,(H,21,22)/t11-,12-,15+/m0/s1.
What are the key properties of (3S,4R,5S)-1-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol?
(3S,4R,5S)-1-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol has a molecular weight of 354.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-1-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol is sourced from PubChem (CID 171556659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).