1-methyl-6-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

C14H23F3N4O2 — CID 178007892

IUPAC1-methyl-6-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC(C)C1CC(O)C(O)CN1C.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H19NO2.C5H4F3N3/c1-6(2)7-4-8(11)9(12)5-10(7)3;6-5(7,8)3-1-10-2-4(9)11-3/h6-9,11-12H,4-5H2,1-3H3;1-2H,(H2,9,11)
InChIKeyAUFMKJTWWSQPSL-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.15
Rot. Bonds1

About 1-methyl-6-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

1-methyl-6-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 178007892) has the molecular formula C14H23F3N4O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 1-methyl-6-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name1-methyl-6-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID178007892
Molecular FormulaC14H23F3N4O2
Molecular Weight336.36 g/mol
Exact Mass336.18
IUPAC Name1-methyl-6-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC(C)C1CC(O)C(O)CN1C.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H19NO2.C5H4F3N3/c1-6(2)7-4-8(11)9(12)5-10(7)3;6-5(7,8)3-1-10-2-4(9)11-3/h6-9,11-12H,4-5H2,1-3H3;1-2H,(H2,9,11)
InChIKeyAUFMKJTWWSQPSL-UHFFFAOYSA-N
XLogP1.15
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R,5S)-2-(methylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221558
(2R,3R,4R,5S)-2-[(dimethylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221691
(2R,3R,4R)-2-(methylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167222175
(2R,3R,4R)-2-[(dimethylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167222182
(2R,3R,4R,5S)-2-(propylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167448081
6-Cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol
CID 167491654
(2R,3R,4R)-2-[(propan-2-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 169581991
2-(Hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171556563
2-(Aminomethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171556765
2-(Azocan-1-ylmethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171556894
(3S,4R,5S)-1-(2,2,2-trifluoroethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557102
(2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557112

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 1-methyl-6-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (CID 178007892) is 1-methyl-6-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 1-methyl-6-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 1-methyl-6-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is CC(C)C1CC(O)C(O)CN1C.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-6-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is AUFMKJTWWSQPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C5H4F3N3/c1-6(2)7-4-8(11)9(12)5-10(7)3;6-5(7,8)3-1-10-2-4(9)11-3/h6-9,11-12H,4-5H2,1-3H3;1-2H,(H2,9,11).
What are the key properties of 1-methyl-6-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
1-methyl-6-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 336.36 g/mol, XLogP of 1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 178007892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).