5-(3,3-dimethylpiperidin-4-yl)oxy-2,3-dimethylpyrazine

C13H21N3O — CID 112747102

IUPAC5-(3,3-dimethylpiperidin-4-yl)oxy-2,3-dimethylpyrazine
SMILESCc1ncc(OC2CCNCC2(C)C)nc1C
InChIInChI=1S/C13H21N3O/c1-9-10(2)16-12(7-15-9)17-11-5-6-14-8-13(11,3)4/h7,11,14H,5-6,8H2,1-4H3
InChIKeyQCLFIGAOGCKAIJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.86
Rot. Bonds2

About 5-(3,3-dimethylpiperidin-4-yl)oxy-2,3-dimethylpyrazine

5-(3,3-dimethylpiperidin-4-yl)oxy-2,3-dimethylpyrazine (PubChem CID 112747102) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(3,3-dimethylpiperidin-4-yl)oxy-2,3-dimethylpyrazine.

Molecular Properties

Compound Name5-(3,3-dimethylpiperidin-4-yl)oxy-2,3-dimethylpyrazine
PubChem CID112747102
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-(3,3-dimethylpiperidin-4-yl)oxy-2,3-dimethylpyrazine
SMILESCc1ncc(OC2CCNCC2(C)C)nc1C
InChIInChI=1S/C13H21N3O/c1-9-10(2)16-12(7-15-9)17-11-5-6-14-8-13(11,3)4/h7,11,14H,5-6,8H2,1-4H3
InChIKeyQCLFIGAOGCKAIJ-UHFFFAOYSA-N
XLogP1.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Piperidin-3-yloxy-5-(trifluoromethyl)pyrazine
CID 134503477
2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine
CID 141419453
2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol
CID 178170942
2-Methyl-6-{[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxy}pyrazine
CID 171700819
2-Methyl-6-{[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy}pyrazine
CID 171701599
2-{[1-(2,2-Difluoroethyl)piperidin-4-yl]oxy}-6-methylpyrazine
CID 171704114
2-{[1-(3-Fluoropropyl)piperidin-4-yl]oxy}-6-methylpyrazine
CID 171704144
2-Ethyl-6-piperidin-4-yloxypyrazine
CID 54401866
2-Tert-butyl-6-piperidin-4-yloxypyrazine
CID 58523692
2-Tert-butyl-5-piperidin-4-yloxypyrazine
CID 58523813
2,5-Dimethyl-3-piperidin-4-yloxypyrazine
CID 62343019
2-Ethyl-5-piperidin-4-yloxypyrazine
CID 68166298

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylpiperidin-4-yl)oxy-2,3-dimethylpyrazine?
The IUPAC name of 5-(3,3-dimethylpiperidin-4-yl)oxy-2,3-dimethylpyrazine (CID 112747102) is 5-(3,3-dimethylpiperidin-4-yl)oxy-2,3-dimethylpyrazine.
What is the SMILES notation for 5-(3,3-dimethylpiperidin-4-yl)oxy-2,3-dimethylpyrazine?
The canonical SMILES for 5-(3,3-dimethylpiperidin-4-yl)oxy-2,3-dimethylpyrazine is Cc1ncc(OC2CCNCC2(C)C)nc1C.
What is the InChIKey of 5-(3,3-dimethylpiperidin-4-yl)oxy-2,3-dimethylpyrazine?
The InChIKey is QCLFIGAOGCKAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-10(2)16-12(7-15-9)17-11-5-6-14-8-13(11,3)4/h7,11,14H,5-6,8H2,1-4H3.
What are the key properties of 5-(3,3-dimethylpiperidin-4-yl)oxy-2,3-dimethylpyrazine?
5-(3,3-dimethylpiperidin-4-yl)oxy-2,3-dimethylpyrazine has a molecular weight of 235.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylpiperidin-4-yl)oxy-2,3-dimethylpyrazine is sourced from PubChem (CID 112747102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).