8-[(3R,6R)-6-methylpiperidin-3-yl]oxy-3-(trifluoromethyl)imidazo[1,2-a]pyrazine

C13H15F3N4O — CID 121439811

IUPAC8-[(3R,6R)-6-methylpiperidin-3-yl]oxy-3-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESC[C@@H]1CC[C@@H](Oc2nccn3c(C(F)(F)F)cnc23)CN1
InChIInChI=1S/C13H15F3N4O/c1-8-2-3-9(6-18-8)21-12-11-19-7-10(13(14,15)16)20(11)5-4-17-12/h4-5,7-9,18H,2-3,6H2,1H3/t8-,9-/m1/s1
InChIKeyKDWICEUQMAJFFZ-RKDXNWHRSA-N
MW300.28 g/mol
LogP2.27
Rot. Bonds2

About 8-[(3R,6R)-6-methylpiperidin-3-yl]oxy-3-(trifluoromethyl)imidazo[1,2-a]pyrazine

8-[(3R,6R)-6-methylpiperidin-3-yl]oxy-3-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 121439811) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is 8-[(3R,6R)-6-methylpiperidin-3-yl]oxy-3-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-[(3R,6R)-6-methylpiperidin-3-yl]oxy-3-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID121439811
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name8-[(3R,6R)-6-methylpiperidin-3-yl]oxy-3-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESC[C@@H]1CC[C@@H](Oc2nccn3c(C(F)(F)F)cnc23)CN1
InChIInChI=1S/C13H15F3N4O/c1-8-2-3-9(6-18-8)21-12-11-19-7-10(13(14,15)16)20(11)5-4-17-12/h4-5,7-9,18H,2-3,6H2,1H3/t8-,9-/m1/s1
InChIKeyKDWICEUQMAJFFZ-RKDXNWHRSA-N
XLogP2.27
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(3R,6R)-6-methylpiperidin-3-yl]oxy-3-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 8-[(3R,6R)-6-methylpiperidin-3-yl]oxy-3-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 121439811) is 8-[(3R,6R)-6-methylpiperidin-3-yl]oxy-3-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-[(3R,6R)-6-methylpiperidin-3-yl]oxy-3-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-[(3R,6R)-6-methylpiperidin-3-yl]oxy-3-(trifluoromethyl)imidazo[1,2-a]pyrazine is C[C@@H]1CC[C@@H](Oc2nccn3c(C(F)(F)F)cnc23)CN1.
What is the InChIKey of 8-[(3R,6R)-6-methylpiperidin-3-yl]oxy-3-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is KDWICEUQMAJFFZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-8-2-3-9(6-18-8)21-12-11-19-7-10(13(14,15)16)20(11)5-4-17-12/h4-5,7-9,18H,2-3,6H2,1H3/t8-,9-/m1/s1.
What are the key properties of 8-[(3R,6R)-6-methylpiperidin-3-yl]oxy-3-(trifluoromethyl)imidazo[1,2-a]pyrazine?
8-[(3R,6R)-6-methylpiperidin-3-yl]oxy-3-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 300.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3R,6R)-6-methylpiperidin-3-yl]oxy-3-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 121439811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).